NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
416970 |
2dlh   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2dlh
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 2436
_Distance_constraint_stats_list.Viol_count 2152
_Distance_constraint_stats_list.Viol_total 3463.450
_Distance_constraint_stats_list.Viol_max 1.651
_Distance_constraint_stats_list.Viol_rms 0.0575
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0036
_Distance_constraint_stats_list.Viol_average_violations_only 0.0805
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 VAL 0.062 0.042 6 0 "[ . 1 . 2]"
1 10 LEU 0.062 0.042 6 0 "[ . 1 . 2]"
1 11 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 SER 0.025 0.025 6 0 "[ . 1 . 2]"
1 15 GLU 0.087 0.025 6 0 "[ . 1 . 2]"
1 16 GLN 2.011 0.129 20 0 "[ . 1 . 2]"
1 17 ALA 1.439 0.129 20 0 "[ . 1 . 2]"
1 18 PRO 0.266 0.020 20 0 "[ . 1 . 2]"
1 19 SER 0.289 0.020 20 0 "[ . 1 . 2]"
1 20 SER 23.711 1.258 18 20 [**************-**+**]
1 21 ALA 23.712 1.258 18 20 [**************-**+**]
1 22 PRO 0.315 0.051 15 0 "[ . 1 . 2]"
1 23 ARG 27.202 1.651 15 20 [*******-******+*****]
1 24 ASP 0.130 0.066 18 0 "[ . 1 . 2]"
1 25 VAL 1.995 0.283 20 0 "[ . 1 . 2]"
1 26 GLN 0.580 0.069 16 0 "[ . 1 . 2]"
1 27 ALA 0.409 0.052 16 0 "[ . 1 . 2]"
1 28 ARG 0.100 0.026 19 0 "[ . 1 . 2]"
1 29 MET 1.109 0.192 19 0 "[ . 1 . 2]"
1 30 LEU 0.435 0.165 19 0 "[ . 1 . 2]"
1 31 SER 0.559 0.118 19 0 "[ . 1 . 2]"
1 32 SER 0.390 0.087 19 0 "[ . 1 . 2]"
1 33 THR 0.340 0.051 12 0 "[ . 1 . 2]"
1 34 THR 0.230 0.051 12 0 "[ . 1 . 2]"
1 35 ILE 0.377 0.030 19 0 "[ . 1 . 2]"
1 36 LEU 0.634 0.242 17 0 "[ . 1 . 2]"
1 37 VAL 0.391 0.242 17 0 "[ . 1 . 2]"
1 38 GLN 0.837 0.117 20 0 "[ . 1 . 2]"
1 39 TRP 2.783 0.283 20 0 "[ . 1 . 2]"
1 40 LYS 0.459 0.153 14 0 "[ . 1 . 2]"
1 41 GLU 26.924 1.651 15 20 [*******-******+*****]
1 42 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 GLU 0.064 0.012 15 0 "[ . 1 . 2]"
1 44 GLU 6.343 0.351 19 0 "[ . 1 . 2]"
1 45 PRO 0.077 0.023 15 0 "[ . 1 . 2]"
1 46 ASN 6.835 0.351 19 0 "[ . 1 . 2]"
1 47 GLY 0.031 0.007 20 0 "[ . 1 . 2]"
1 48 GLN 0.201 0.104 18 0 "[ . 1 . 2]"
1 49 ILE 0.085 0.035 4 0 "[ . 1 . 2]"
1 50 GLN 0.015 0.004 4 0 "[ . 1 . 2]"
1 51 GLY 0.120 0.013 3 0 "[ . 1 . 2]"
1 52 TYR 0.205 0.023 8 0 "[ . 1 . 2]"
1 53 ARG 0.072 0.009 3 0 "[ . 1 . 2]"
1 54 VAL 0.056 0.010 14 0 "[ . 1 . 2]"
1 55 TYR 0.321 0.075 8 0 "[ . 1 . 2]"
1 56 TYR 0.281 0.034 10 0 "[ . 1 . 2]"
1 57 THR 0.185 0.034 8 0 "[ . 1 . 2]"
1 58 MET 0.069 0.010 4 0 "[ . 1 . 2]"
1 59 ASP 0.046 0.007 8 0 "[ . 1 . 2]"
1 60 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 THR 0.003 0.003 8 0 "[ . 1 . 2]"
1 62 GLN 0.504 0.048 8 0 "[ . 1 . 2]"
1 63 HIS 20.618 1.322 8 15 "[****-**+ 1 * **** **]"
1 64 VAL 21.497 1.322 8 15 "[****-**+ 1 * **** **]"
1 65 ASN 1.578 0.215 15 0 "[ . 1 . 2]"
1 66 ASN 0.139 0.071 2 0 "[ . 1 . 2]"
1 67 TRP 0.961 0.048 8 0 "[ . 1 . 2]"
1 68 MET 0.089 0.009 18 0 "[ . 1 . 2]"
1 69 LYS 0.198 0.075 8 0 "[ . 1 . 2]"
1 70 HIS 17.853 0.932 12 20 [**-********+********]
1 71 ASN 17.692 0.932 12 20 [**-********+********]
1 72 VAL 0.688 0.116 12 0 "[ . 1 . 2]"
1 73 ALA 0.056 0.015 8 0 "[ . 1 . 2]"
1 74 ASP 0.063 0.040 8 0 "[ . 1 . 2]"
1 75 SER 0.282 0.072 8 0 "[ . 1 . 2]"
1 76 GLN 0.390 0.153 14 0 "[ . 1 . 2]"
1 77 ILE 0.398 0.022 19 0 "[ . 1 . 2]"
1 78 THR 0.054 0.010 4 0 "[ . 1 . 2]"
1 79 THR 0.156 0.024 17 0 "[ . 1 . 2]"
1 80 ILE 0.442 0.040 8 0 "[ . 1 . 2]"
1 81 GLY 0.048 0.007 19 0 "[ . 1 . 2]"
1 82 ASN 0.078 0.010 20 0 "[ . 1 . 2]"
1 83 LEU 0.113 0.020 19 0 "[ . 1 . 2]"
1 84 VAL 0.589 0.098 5 0 "[ . 1 . 2]"
1 85 PRO 0.230 0.035 6 0 "[ . 1 . 2]"
1 86 GLN 0.128 0.021 19 0 "[ . 1 . 2]"
1 87 LYS 0.834 0.098 5 0 "[ . 1 . 2]"
1 88 THR 14.238 0.930 10 15 "[******-**+*** . ** 2]"
1 89 TYR 10.094 0.741 15 11 "[ *-*. * *1* *+* **]"
1 90 SER 23.165 1.331 15 20 [*******-******+*****]
1 91 VAL 13.787 0.831 4 18 "[***+.**********- ***]"
1 92 LYS 0.243 0.022 15 0 "[ . 1 . 2]"
1 93 VAL 0.348 0.027 20 0 "[ . 1 . 2]"
1 94 LEU 0.260 0.023 8 0 "[ . 1 . 2]"
1 95 ALA 0.034 0.012 8 0 "[ . 1 . 2]"
1 96 PHE 0.182 0.028 15 0 "[ . 1 . 2]"
1 97 THR 0.101 0.009 15 0 "[ . 1 . 2]"
1 98 SER 0.001 0.001 3 0 "[ . 1 . 2]"
1 99 ILE 0.082 0.011 16 0 "[ . 1 . 2]"
1 100 GLY 0.195 0.028 15 0 "[ . 1 . 2]"
1 101 ASP 0.035 0.005 15 0 "[ . 1 . 2]"
1 102 GLY 0.050 0.009 15 0 "[ . 1 . 2]"
1 103 PRO 0.102 0.011 20 0 "[ . 1 . 2]"
1 104 LEU 0.143 0.013 3 0 "[ . 1 . 2]"
1 105 SER 0.091 0.032 20 0 "[ . 1 . 2]"
1 106 SER 0.000 0.000 5 0 "[ . 1 . 2]"
1 107 ASP 13.692 0.831 4 18 "[***+.**********- ***]"
1 108 ILE 23.295 1.331 15 20 [*******-******+*****]
1 109 GLN 9.991 0.741 15 11 "[ *-*. * *1* *+* **]"
1 110 VAL 14.235 0.930 10 15 "[******-**+*** . ** 2]"
1 111 ILE 0.633 0.044 19 0 "[ . 1 . 2]"
1 112 THR 0.501 0.192 19 0 "[ . 1 . 2]"
1 113 GLN 0.821 0.087 19 0 "[ . 1 . 2]"
1 114 THR 0.341 0.076 19 0 "[ . 1 . 2]"
1 115 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 39 TRP HE1 1 52 TYR QD . . 4.500 3.041 2.895 3.242 . 0 0 "[ . 1 . 2]" 1
2 1 39 TRP HE1 1 52 TYR QE . . 4.280 3.383 3.121 3.659 . 0 0 "[ . 1 . 2]" 1
3 1 39 TRP HE1 1 76 GLN HA . . 3.400 2.809 2.464 3.117 . 0 0 "[ . 1 . 2]" 1
4 1 22 PRO HB3 1 39 TRP HE1 . . 5.500 4.589 4.109 5.306 . 0 0 "[ . 1 . 2]" 1
5 1 39 TRP HE1 1 41 GLU QG . . 5.500 5.173 4.896 5.419 . 0 0 "[ . 1 . 2]" 1
6 1 39 TRP HE1 1 76 GLN QB . . 5.500 4.589 4.267 4.930 . 0 0 "[ . 1 . 2]" 1
7 1 39 TRP HE1 1 76 GLN HG2 . . 3.950 3.407 2.875 3.921 . 0 0 "[ . 1 . 2]" 1
8 1 39 TRP HE1 1 72 VAL MG1 . . 5.500 4.448 3.912 5.510 0.010 8 0 "[ . 1 . 2]" 1
9 1 39 TRP HE1 1 72 VAL MG2 . . 5.500 4.945 3.932 5.477 . 0 0 "[ . 1 . 2]" 1
10 1 39 TRP HE1 1 95 ALA MB . . 5.500 5.001 4.662 5.500 0.000 8 0 "[ . 1 . 2]" 1
11 1 36 LEU H 1 80 ILE H . . 5.230 4.777 4.594 4.955 . 0 0 "[ . 1 . 2]" 1
12 1 37 VAL H 1 80 ILE H . . 5.450 4.283 4.118 4.742 . 0 0 "[ . 1 . 2]" 1
13 1 35 ILE H 1 80 ILE H . . 3.590 3.388 2.956 3.508 . 0 0 "[ . 1 . 2]" 1
14 1 34 THR HA 1 80 ILE H . . 5.120 5.017 4.731 5.124 0.004 8 0 "[ . 1 . 2]" 1
15 1 79 THR HA 1 80 ILE H . . 2.970 2.149 2.141 2.180 . 0 0 "[ . 1 . 2]" 1
16 1 36 LEU HA 1 80 ILE H . . 4.160 3.430 3.331 3.537 . 0 0 "[ . 1 . 2]" 1
17 1 35 ILE HB 1 80 ILE H . . 4.960 4.699 4.624 4.811 . 0 0 "[ . 1 . 2]" 1
18 1 78 THR MG 1 80 ILE H . . 4.600 4.250 3.970 4.556 . 0 0 "[ . 1 . 2]" 1
19 1 80 ILE H 1 80 ILE HB . . 3.440 2.582 2.535 2.675 . 0 0 "[ . 1 . 2]" 1
20 1 35 ILE MG 1 80 ILE H . . 4.840 4.834 4.774 4.852 0.012 4 0 "[ . 1 . 2]" 1
21 1 35 ILE MD 1 80 ILE H . . 4.690 3.677 3.509 3.967 . 0 0 "[ . 1 . 2]" 1
22 1 80 ILE H 1 80 ILE MD . . 4.260 3.793 3.558 3.924 . 0 0 "[ . 1 . 2]" 1
23 1 80 ILE H 1 80 ILE HG13 . . 4.330 2.647 2.552 2.802 . 0 0 "[ . 1 . 2]" 1
24 1 65 ASN H 1 67 TRP H . . 4.870 4.046 3.895 4.194 . 0 0 "[ . 1 . 2]" 1
25 1 67 TRP H 1 67 TRP HD1 . . 3.330 2.336 2.252 2.450 . 0 0 "[ . 1 . 2]" 1
26 1 67 TRP H 1 67 TRP HB2 . . 3.540 2.429 2.402 2.478 . 0 0 "[ . 1 . 2]" 1
27 1 66 ASN HB2 1 67 TRP H . . 4.410 3.624 3.213 4.083 . 0 0 "[ . 1 . 2]" 1
28 1 66 ASN HB3 1 67 TRP H . . 4.410 3.360 3.017 3.736 . 0 0 "[ . 1 . 2]" 1
29 1 64 VAL HA 1 67 TRP H . . 3.930 3.337 2.984 3.850 . 0 0 "[ . 1 . 2]" 1
30 1 94 LEU HB2 1 95 ALA H . . 4.570 2.475 2.451 2.697 . 0 0 "[ . 1 . 2]" 1
31 1 94 LEU HB3 1 95 ALA H . . 4.570 3.878 3.862 4.021 . 0 0 "[ . 1 . 2]" 1
32 1 16 GLN QG 1 17 ALA H . . 4.720 3.010 2.726 3.777 . 0 0 "[ . 1 . 2]" 1
33 1 17 ALA H 1 99 ILE HB . . 4.440 3.078 2.774 3.314 . 0 0 "[ . 1 . 2]" 1
34 1 17 ALA H 1 17 ALA MB . . 2.850 2.081 2.029 2.115 . 0 0 "[ . 1 . 2]" 1
35 1 94 LEU H 1 95 ALA H . . 4.670 4.407 4.386 4.426 . 0 0 "[ . 1 . 2]" 1
36 1 55 TYR QD 1 94 LEU H . . 5.110 4.867 4.543 5.056 . 0 0 "[ . 1 . 2]" 1
37 1 55 TYR QE 1 94 LEU H . . 4.880 4.457 4.043 4.889 0.009 8 0 "[ . 1 . 2]" 1
38 1 93 VAL HA 1 94 LEU H . . 3.000 2.243 2.218 2.279 . 0 0 "[ . 1 . 2]" 1
39 1 94 LEU H 1 95 ALA HA . . 4.880 4.709 4.678 4.755 . 0 0 "[ . 1 . 2]" 1
40 1 54 VAL HA 1 94 LEU H . . 4.220 4.153 3.937 4.225 0.005 2 0 "[ . 1 . 2]" 1
41 1 93 VAL HB 1 94 LEU H . . 4.390 3.826 3.723 3.903 . 0 0 "[ . 1 . 2]" 1
42 1 93 VAL MG1 1 94 LEU H . . 3.980 1.941 1.911 2.211 . 0 0 "[ . 1 . 2]" 1
43 1 26 GLN H 1 38 GLN H . . 3.660 3.220 2.981 3.639 . 0 0 "[ . 1 . 2]" 1
44 1 27 ALA H 1 38 GLN H . . 5.500 5.495 5.378 5.552 0.052 16 0 "[ . 1 . 2]" 1
45 1 38 GLN H 1 39 TRP HE3 . . 4.110 3.787 3.584 3.993 . 0 0 "[ . 1 . 2]" 1
46 1 37 VAL HA 1 38 GLN H . . 2.920 2.142 2.140 2.150 . 0 0 "[ . 1 . 2]" 1
47 1 38 GLN H 1 38 GLN QG . . 3.460 2.206 1.999 2.319 . 0 0 "[ . 1 . 2]" 1
48 1 38 GLN H 1 38 GLN HB2 . . 3.890 3.799 3.768 3.856 . 0 0 "[ . 1 . 2]" 1
49 1 38 GLN H 1 38 GLN HB3 . . 3.880 3.204 3.091 3.304 . 0 0 "[ . 1 . 2]" 1
50 1 37 VAL MG1 1 38 GLN H . . 4.310 2.646 2.483 2.823 . 0 0 "[ . 1 . 2]" 1
51 1 37 VAL MG2 1 38 GLN H . . 4.310 4.146 4.040 4.183 . 0 0 "[ . 1 . 2]" 1
52 1 20 SER HA 1 21 ALA H . . 3.440 2.156 2.137 2.186 . 0 0 "[ . 1 . 2]" 1
53 1 20 SER HB3 1 21 ALA H . . 4.460 3.971 3.214 4.439 . 0 0 "[ . 1 . 2]" 1
54 1 41 GLU H 1 76 GLN HE21 . . 4.420 3.125 1.901 4.213 . 0 0 "[ . 1 . 2]" 1
55 1 41 GLU H 1 76 GLN HE22 . . 4.100 2.969 2.393 3.408 . 0 0 "[ . 1 . 2]" 1
56 1 39 TRP HD1 1 41 GLU H . . 4.780 4.711 4.553 4.800 0.020 8 0 "[ . 1 . 2]" 1
57 1 40 LYS HA 1 41 GLU H . . 2.810 2.413 2.270 2.591 . 0 0 "[ . 1 . 2]" 1
58 1 41 GLU H 1 42 PRO QD . . 4.990 4.343 4.323 4.368 . 0 0 "[ . 1 . 2]" 1
59 1 41 GLU H 1 41 GLU QG . . 3.350 3.104 2.949 3.260 . 0 0 "[ . 1 . 2]" 1
60 1 41 GLU H 1 41 GLU HB2 . . 3.120 2.128 2.087 2.207 . 0 0 "[ . 1 . 2]" 1
61 1 40 LYS HB3 1 41 GLU H . . 3.380 2.502 2.041 2.872 . 0 0 "[ . 1 . 2]" 1
62 1 40 LYS HB2 1 41 GLU H . . 4.120 3.865 3.484 4.119 . 0 0 "[ . 1 . 2]" 1
63 1 40 LYS HG3 1 41 GLU H . . 4.660 4.513 4.275 4.661 0.001 20 0 "[ . 1 . 2]" 1
64 1 84 VAL H 1 89 TYR QE . . 3.830 2.581 2.124 2.876 . 0 0 "[ . 1 . 2]" 1
65 1 84 VAL H 1 84 VAL HB . . 3.470 3.028 2.785 3.191 . 0 0 "[ . 1 . 2]" 1
66 1 83 LEU HB3 1 84 VAL H . . 3.540 2.158 1.973 2.372 . 0 0 "[ . 1 . 2]" 1
67 1 83 LEU MD1 1 84 VAL H . . 4.880 4.159 4.027 4.414 . 0 0 "[ . 1 . 2]" 1
68 1 14 SER HA 1 15 GLU H . . 2.830 2.323 2.140 2.566 . 0 0 "[ . 1 . 2]" 1
69 1 14 SER QB 1 15 GLU H . . 3.570 2.860 2.166 3.595 0.025 6 0 "[ . 1 . 2]" 1
70 1 15 GLU H 1 15 GLU HG2 . . 4.170 3.992 3.857 4.158 . 0 0 "[ . 1 . 2]" 1
71 1 15 GLU H 1 15 GLU HG3 . . 4.170 3.220 3.046 3.412 . 0 0 "[ . 1 . 2]" 1
72 1 15 GLU H 1 15 GLU HB3 . . 3.640 3.600 3.538 3.641 0.001 13 0 "[ . 1 . 2]" 1
73 1 15 GLU H 1 15 GLU HB2 . . 3.200 2.432 2.264 2.562 . 0 0 "[ . 1 . 2]" 1
74 1 15 GLU H 1 99 ILE MD . . 4.690 4.374 3.900 4.673 . 0 0 "[ . 1 . 2]" 1
75 1 28 ARG H 1 29 MET H . . 4.530 4.367 4.188 4.477 . 0 0 "[ . 1 . 2]" 1
76 1 28 ARG HA 1 29 MET H . . 2.800 2.158 2.144 2.197 . 0 0 "[ . 1 . 2]" 1
77 1 29 MET H 1 29 MET HG3 . . 4.320 4.122 2.348 4.323 0.003 20 0 "[ . 1 . 2]" 1
78 1 29 MET H 1 29 MET HB3 . . 3.820 3.322 2.722 3.380 . 0 0 "[ . 1 . 2]" 1
79 1 29 MET H 1 35 ILE MG . . 5.050 4.706 3.974 5.016 . 0 0 "[ . 1 . 2]" 1
80 1 112 THR HA 1 113 GLN H . . 2.910 2.237 2.178 2.279 . 0 0 "[ . 1 . 2]" 1
81 1 32 SER HA 1 113 GLN H . . 5.400 5.404 5.347 5.487 0.087 19 0 "[ . 1 . 2]" 1
82 1 29 MET HG2 1 113 GLN H . . 4.350 3.695 3.198 4.351 0.001 7 0 "[ . 1 . 2]" 1
83 1 29 MET HG3 1 113 GLN H . . 4.350 2.205 1.943 4.102 . 0 0 "[ . 1 . 2]" 1
84 1 113 GLN H 1 113 GLN QG . . 3.510 2.465 2.376 2.565 . 0 0 "[ . 1 . 2]" 1
85 1 113 GLN H 1 113 GLN HB2 . . 4.000 3.935 3.908 3.960 . 0 0 "[ . 1 . 2]" 1
86 1 113 GLN H 1 113 GLN HB3 . . 3.450 3.244 3.138 3.515 0.065 19 0 "[ . 1 . 2]" 1
87 1 111 ILE HB 1 113 GLN H . . 4.970 4.699 4.444 5.010 0.040 19 0 "[ . 1 . 2]" 1
88 1 112 THR MG 1 113 GLN H . . 4.370 4.094 4.003 4.186 . 0 0 "[ . 1 . 2]" 1
89 1 58 MET H 1 59 ASP H . . 3.310 2.444 2.159 2.654 . 0 0 "[ . 1 . 2]" 1
90 1 58 MET H 1 89 TYR QE . . 4.750 2.887 2.408 3.795 . 0 0 "[ . 1 . 2]" 1
91 1 57 THR HA 1 58 MET H . . 3.150 2.290 2.194 2.447 . 0 0 "[ . 1 . 2]" 1
92 1 57 THR HB 1 58 MET H . . 4.230 4.000 3.775 4.170 . 0 0 "[ . 1 . 2]" 1
93 1 58 MET H 1 58 MET HB2 . . 3.950 3.604 3.578 3.640 . 0 0 "[ . 1 . 2]" 1
94 1 58 MET H 1 58 MET HB3 . . 3.950 2.707 2.421 2.951 . 0 0 "[ . 1 . 2]" 1
95 1 57 THR MG 1 58 MET H . . 4.110 3.488 3.171 3.685 . 0 0 "[ . 1 . 2]" 1
96 1 89 TYR H 1 110 VAL H . . 3.750 3.080 2.788 3.308 . 0 0 "[ . 1 . 2]" 1
97 1 109 GLN HA 1 110 VAL H . . 2.790 2.238 2.143 2.466 . 0 0 "[ . 1 . 2]" 1
98 1 90 SER HA 1 110 VAL H . . 3.940 3.806 3.474 3.941 0.001 11 0 "[ . 1 . 2]" 1
99 1 110 VAL H 1 110 VAL HB . . 3.640 3.289 3.080 3.475 . 0 0 "[ . 1 . 2]" 1
100 1 110 VAL H 1 110 VAL MG2 . . 4.080 3.921 3.859 4.029 . 0 0 "[ . 1 . 2]" 1
101 1 72 VAL H 1 73 ALA MB . . 5.500 4.819 4.543 5.333 . 0 0 "[ . 1 . 2]" 1
102 1 110 VAL H 1 111 ILE HG13 . . 5.500 4.758 4.351 5.009 . 0 0 "[ . 1 . 2]" 1
103 1 72 VAL H 1 72 VAL HB . . 3.560 3.012 2.797 3.676 0.116 12 0 "[ . 1 . 2]" 1
104 1 71 ASN H 1 72 VAL H . . 4.750 4.376 3.936 4.502 . 0 0 "[ . 1 . 2]" 1
105 1 71 ASN HA 1 72 VAL H . . 2.840 2.264 2.141 2.349 . 0 0 "[ . 1 . 2]" 1
106 1 71 ASN HB2 1 72 VAL H . . 4.530 3.915 2.738 4.528 . 0 0 "[ . 1 . 2]" 1
107 1 91 VAL H 1 92 LYS H . . 4.650 4.248 4.146 4.375 . 0 0 "[ . 1 . 2]" 1
108 1 91 VAL H 1 108 ILE H . . 3.700 3.459 3.222 3.583 . 0 0 "[ . 1 . 2]" 1
109 1 91 VAL H 1 109 GLN HA . . 3.750 3.508 3.231 3.749 . 0 0 "[ . 1 . 2]" 1
110 1 90 SER HA 1 91 VAL H . . 2.890 2.310 2.272 2.357 . 0 0 "[ . 1 . 2]" 1
111 1 91 VAL H 1 107 ASP HA . . 4.000 4.684 4.413 4.831 0.831 4 18 "[***+.**********- ***]" 1
112 1 90 SER HB2 1 91 VAL H . . 4.230 3.744 2.684 4.179 . 0 0 "[ . 1 . 2]" 1
113 1 90 SER HB3 1 91 VAL H . . 4.230 3.153 2.620 3.851 . 0 0 "[ . 1 . 2]" 1
114 1 91 VAL H 1 109 GLN QG . . 5.250 4.148 3.316 4.895 . 0 0 "[ . 1 . 2]" 1
115 1 91 VAL H 1 108 ILE HB . . 5.270 5.113 4.800 5.272 0.002 11 0 "[ . 1 . 2]" 1
116 1 91 VAL H 1 91 VAL HB . . 3.310 2.907 2.796 2.933 . 0 0 "[ . 1 . 2]" 1
117 1 91 VAL H 1 108 ILE HG13 . . 4.100 3.131 2.640 3.364 . 0 0 "[ . 1 . 2]" 1
118 1 91 VAL H 1 108 ILE HG12 . . 4.390 4.192 3.896 4.391 0.001 3 0 "[ . 1 . 2]" 1
119 1 91 VAL H 1 108 ILE MG . . 5.490 5.352 5.104 5.482 . 0 0 "[ . 1 . 2]" 1
120 1 91 VAL H 1 91 VAL MG2 . . 3.450 3.023 2.909 3.103 . 0 0 "[ . 1 . 2]" 1
121 1 26 GLN HA 1 27 ALA H . . 2.770 2.277 2.209 2.587 . 0 0 "[ . 1 . 2]" 1
122 1 26 GLN HB2 1 27 ALA H . . 4.030 3.555 2.655 4.033 0.003 18 0 "[ . 1 . 2]" 1
123 1 26 GLN HB3 1 27 ALA H . . 4.030 3.181 2.119 4.031 0.001 3 0 "[ . 1 . 2]" 1
124 1 27 ALA H 1 27 ALA MB . . 3.050 2.450 2.367 2.578 . 0 0 "[ . 1 . 2]" 1
125 1 27 ALA H 1 108 ILE MD . . 3.280 3.178 2.968 3.285 0.005 14 0 "[ . 1 . 2]" 1
126 1 43 GLU H 1 44 GLU H . . 3.910 2.228 2.108 2.558 . 0 0 "[ . 1 . 2]" 1
127 1 42 PRO HB2 1 43 GLU H . . 4.600 2.519 2.503 2.636 . 0 0 "[ . 1 . 2]" 1
128 1 43 GLU H 1 43 GLU HB2 . . 3.790 2.936 2.179 3.708 . 0 0 "[ . 1 . 2]" 1
129 1 43 GLU H 1 43 GLU HB3 . . 3.790 3.071 2.796 3.477 . 0 0 "[ . 1 . 2]" 1
130 1 42 PRO HB3 1 43 GLU H . . 4.600 3.407 3.399 3.466 . 0 0 "[ . 1 . 2]" 1
131 1 8 PRO HA 1 9 VAL H . . 2.760 2.312 2.153 2.584 . 0 0 "[ . 1 . 2]" 1
132 1 8 PRO HB2 1 9 VAL H . . 4.520 3.212 2.187 4.207 . 0 0 "[ . 1 . 2]" 1
133 1 9 VAL H 1 9 VAL HB . . 3.940 3.262 2.504 3.840 . 0 0 "[ . 1 . 2]" 1
134 1 8 PRO HB3 1 9 VAL H . . 4.520 3.832 3.255 4.507 . 0 0 "[ . 1 . 2]" 1
135 1 9 VAL H 1 9 VAL MG1 . . 4.050 2.913 1.934 4.017 . 0 0 "[ . 1 . 2]" 1
136 1 9 VAL H 1 9 VAL MG2 . . 4.050 2.857 1.956 4.027 . 0 0 "[ . 1 . 2]" 1
137 1 53 ARG H 1 54 VAL H . . 4.830 4.370 4.269 4.498 . 0 0 "[ . 1 . 2]" 1
138 1 52 TYR HA 1 53 ARG H . . 3.290 2.431 2.206 2.572 . 0 0 "[ . 1 . 2]" 1
139 1 52 TYR QB 1 53 ARG H . . 3.590 2.400 2.124 2.925 . 0 0 "[ . 1 . 2]" 1
140 1 56 TYR H 1 68 MET H . . 4.140 3.932 3.113 4.143 0.003 7 0 "[ . 1 . 2]" 1
141 1 67 TRP HA 1 68 MET H . . 3.240 2.550 2.467 2.666 . 0 0 "[ . 1 . 2]" 1
142 1 67 TRP HB3 1 68 MET H . . 3.450 2.130 1.936 2.297 . 0 0 "[ . 1 . 2]" 1
143 1 68 MET H 1 68 MET QG . . 3.550 3.524 3.161 3.557 0.007 3 0 "[ . 1 . 2]" 1
144 1 68 MET H 1 68 MET HB3 . . 3.820 3.265 3.172 3.615 . 0 0 "[ . 1 . 2]" 1
145 1 68 MET H 1 68 MET HB2 . . 3.400 2.095 2.065 2.387 . 0 0 "[ . 1 . 2]" 1
146 1 53 ARG H 1 96 PHE QD . . 4.470 3.351 2.782 3.757 . 0 0 "[ . 1 . 2]" 1
147 1 53 ARG H 1 95 ALA HA . . 4.370 4.122 3.944 4.298 . 0 0 "[ . 1 . 2]" 1
148 1 53 ARG H 1 53 ARG QB . . 3.890 2.527 2.280 2.690 . 0 0 "[ . 1 . 2]" 1
149 1 53 ARG H 1 94 LEU MD2 . . 4.500 3.890 3.642 4.160 . 0 0 "[ . 1 . 2]" 1
150 1 23 ARG H 1 40 LYS H . . 3.600 3.205 3.000 3.374 . 0 0 "[ . 1 . 2]" 1
151 1 23 ARG H 1 24 ASP H . . 4.550 4.450 4.412 4.499 . 0 0 "[ . 1 . 2]" 1
152 1 23 ARG H 1 39 TRP HD1 . . 4.770 4.479 4.153 4.809 0.039 20 0 "[ . 1 . 2]" 1
153 1 23 ARG H 1 39 TRP HA . . 5.500 5.328 5.121 5.439 . 0 0 "[ . 1 . 2]" 1
154 1 23 ARG H 1 41 GLU HA . . 5.500 5.045 4.861 5.392 . 0 0 "[ . 1 . 2]" 1
155 1 22 PRO HA 1 23 ARG H . . 3.010 2.278 2.199 2.550 . 0 0 "[ . 1 . 2]" 1
156 1 23 ARG H 1 42 PRO QD . . 5.500 5.233 5.212 5.279 . 0 0 "[ . 1 . 2]" 1
157 1 23 ARG H 1 39 TRP HB3 . . 5.500 5.488 5.416 5.513 0.013 8 0 "[ . 1 . 2]" 1
158 1 23 ARG H 1 39 TRP HB2 . . 4.510 3.855 3.784 3.911 . 0 0 "[ . 1 . 2]" 1
159 1 22 PRO HB3 1 23 ARG H . . 3.780 3.660 3.288 3.814 0.034 20 0 "[ . 1 . 2]" 1
160 1 23 ARG H 1 40 LYS HB2 . . 4.630 3.682 3.301 4.103 . 0 0 "[ . 1 . 2]" 1
161 1 22 PRO HB2 1 23 ARG H . . 4.120 2.981 2.263 3.247 . 0 0 "[ . 1 . 2]" 1
162 1 62 GLN H 1 67 TRP HE1 . . 3.950 3.141 2.943 3.420 . 0 0 "[ . 1 . 2]" 1
163 1 62 GLN H 1 63 HIS H . . 4.690 4.527 4.428 4.607 . 0 0 "[ . 1 . 2]" 1
164 1 61 THR H 1 62 GLN H . . 2.930 2.683 2.591 2.774 . 0 0 "[ . 1 . 2]" 1
165 1 60 PRO HA 1 62 GLN H . . 3.920 3.463 3.405 3.559 . 0 0 "[ . 1 . 2]" 1
166 1 62 GLN H 1 62 GLN HG2 . . 3.330 2.687 2.482 2.944 . 0 0 "[ . 1 . 2]" 1
167 1 62 GLN H 1 62 GLN HG3 . . 3.330 2.488 2.010 2.756 . 0 0 "[ . 1 . 2]" 1
168 1 62 GLN H 1 62 GLN HB3 . . 3.710 3.643 3.590 3.694 . 0 0 "[ . 1 . 2]" 1
169 1 62 GLN H 1 62 GLN HB2 . . 3.250 2.691 2.651 2.815 . 0 0 "[ . 1 . 2]" 1
170 1 61 THR MG 1 62 GLN H . . 4.100 2.359 2.062 2.700 . 0 0 "[ . 1 . 2]" 1
171 1 57 THR MG 1 62 GLN H . . 4.550 4.262 4.076 4.535 . 0 0 "[ . 1 . 2]" 1
172 1 92 LYS H 1 93 VAL H . . 4.800 4.320 4.181 4.439 . 0 0 "[ . 1 . 2]" 1
173 1 93 VAL H 1 105 SER H . . 3.500 3.128 2.808 3.474 . 0 0 "[ . 1 . 2]" 1
174 1 93 VAL H 1 105 SER HG . . 3.350 2.474 1.974 2.946 . 0 0 "[ . 1 . 2]" 1
175 1 92 LYS HA 1 93 VAL H . . 3.050 2.245 2.151 2.373 . 0 0 "[ . 1 . 2]" 1
176 1 93 VAL H 1 105 SER HA . . 5.500 5.359 5.004 5.501 0.001 11 0 "[ . 1 . 2]" 1
177 1 92 LYS HB3 1 93 VAL H . . 3.900 2.938 2.571 3.315 . 0 0 "[ . 1 . 2]" 1
178 1 93 VAL H 1 93 VAL HB . . 3.510 2.831 2.700 2.934 . 0 0 "[ . 1 . 2]" 1
179 1 91 VAL MG1 1 93 VAL H . . 5.070 4.443 4.039 4.813 . 0 0 "[ . 1 . 2]" 1
180 1 93 VAL H 1 108 ILE MD . . 5.500 5.148 4.697 5.503 0.003 5 0 "[ . 1 . 2]" 1
181 1 93 VAL H 1 93 VAL MG1 . . 4.050 3.930 3.875 3.970 . 0 0 "[ . 1 . 2]" 1
182 1 93 VAL H 1 93 VAL MG2 . . 4.050 2.750 2.454 2.988 . 0 0 "[ . 1 . 2]" 1
183 1 59 ASP H 1 62 GLN HE21 . . 5.500 5.356 4.738 5.507 0.007 8 0 "[ . 1 . 2]" 1
184 1 57 THR HB 1 59 ASP H . . 4.660 4.279 4.190 4.335 . 0 0 "[ . 1 . 2]" 1
185 1 57 THR MG 1 59 ASP H . . 3.400 2.529 2.361 2.652 . 0 0 "[ . 1 . 2]" 1
186 1 47 GLY H 1 48 GLN H . . 4.430 4.346 4.240 4.403 . 0 0 "[ . 1 . 2]" 1
187 1 47 GLY HA2 1 48 GLN H . . 3.270 2.471 2.269 2.697 . 0 0 "[ . 1 . 2]" 1
188 1 47 GLY HA3 1 48 GLN H . . 3.270 2.666 2.435 2.914 . 0 0 "[ . 1 . 2]" 1
189 1 48 GLN H 1 48 GLN HG3 . . 4.600 3.684 3.212 4.401 . 0 0 "[ . 1 . 2]" 1
190 1 48 GLN H 1 48 GLN QB . . 2.930 2.120 2.046 2.484 . 0 0 "[ . 1 . 2]" 1
191 1 48 GLN H 1 97 THR MG . . 4.110 3.912 3.268 4.112 0.002 6 0 "[ . 1 . 2]" 1
192 1 109 GLN H 1 110 VAL H . . 4.480 4.364 4.194 4.472 . 0 0 "[ . 1 . 2]" 1
193 1 108 ILE HA 1 109 GLN H . . 2.770 2.327 2.251 2.434 . 0 0 "[ . 1 . 2]" 1
194 1 109 GLN H 1 109 GLN QG . . 3.530 3.086 2.734 3.530 0.000 2 0 "[ . 1 . 2]" 1
195 1 108 ILE HB 1 109 GLN H . . 2.790 2.575 2.301 2.792 0.002 19 0 "[ . 1 . 2]" 1
196 1 109 GLN H 1 109 GLN HB3 . . 3.950 3.795 3.678 3.880 . 0 0 "[ . 1 . 2]" 1
197 1 17 ALA MB 1 101 ASP H . . 4.370 3.135 2.982 3.298 . 0 0 "[ . 1 . 2]" 1
198 1 108 ILE MD 1 109 GLN H . . 4.370 4.367 4.291 4.377 0.007 18 0 "[ . 1 . 2]" 1
199 1 56 TYR H 1 67 TRP HE3 . . 4.130 3.215 2.905 3.987 . 0 0 "[ . 1 . 2]" 1
200 1 55 TYR QD 1 56 TYR H . . 4.820 4.562 4.233 4.660 . 0 0 "[ . 1 . 2]" 1
201 1 56 TYR H 1 56 TYR QD . . 3.460 2.672 2.452 2.849 . 0 0 "[ . 1 . 2]" 1
202 1 55 TYR HA 1 56 TYR H . . 2.950 2.142 2.137 2.188 . 0 0 "[ . 1 . 2]" 1
203 1 56 TYR H 1 69 LYS HA . . 4.140 3.062 2.870 4.100 . 0 0 "[ . 1 . 2]" 1
204 1 56 TYR H 1 57 THR HA . . 5.270 4.991 4.876 5.041 . 0 0 "[ . 1 . 2]" 1
205 1 56 TYR H 1 67 TRP HB3 . . 4.050 3.455 3.320 3.621 . 0 0 "[ . 1 . 2]" 1
206 1 56 TYR H 1 57 THR HB . . 4.880 4.227 4.161 4.329 . 0 0 "[ . 1 . 2]" 1
207 1 55 TYR HB3 1 56 TYR H . . 4.020 3.468 3.067 3.556 . 0 0 "[ . 1 . 2]" 1
208 1 55 TYR HB2 1 56 TYR H . . 4.510 4.256 4.128 4.373 . 0 0 "[ . 1 . 2]" 1
209 1 56 TYR H 1 68 MET HB3 . . 4.860 4.154 3.879 4.432 . 0 0 "[ . 1 . 2]" 1
210 1 56 TYR H 1 68 MET HB2 . . 4.530 4.104 2.928 4.390 . 0 0 "[ . 1 . 2]" 1
211 1 55 TYR H 1 56 TYR H . . 4.770 4.277 4.153 4.515 . 0 0 "[ . 1 . 2]" 1
212 1 34 THR HA 1 35 ILE H . . 3.010 2.149 2.141 2.211 . 0 0 "[ . 1 . 2]" 1
213 1 34 THR HB 1 35 ILE H . . 4.050 3.868 3.556 3.975 . 0 0 "[ . 1 . 2]" 1
214 1 35 ILE H 1 35 ILE HB . . 4.050 3.773 3.752 3.868 . 0 0 "[ . 1 . 2]" 1
215 1 35 ILE H 1 35 ILE HG12 . . 3.700 2.212 2.166 2.502 . 0 0 "[ . 1 . 2]" 1
216 1 35 ILE H 1 35 ILE HG13 . . 3.700 2.945 2.886 2.989 . 0 0 "[ . 1 . 2]" 1
217 1 35 ILE H 1 35 ILE MD . . 4.130 3.847 3.813 4.031 . 0 0 "[ . 1 . 2]" 1
218 1 17 ALA HA 1 101 ASP H . . 5.500 5.462 5.189 5.505 0.005 15 0 "[ . 1 . 2]" 1
219 1 100 GLY HA2 1 101 ASP H . . 3.210 2.930 2.751 3.063 . 0 0 "[ . 1 . 2]" 1
220 1 100 GLY HA3 1 101 ASP H . . 3.210 2.260 2.183 2.387 . 0 0 "[ . 1 . 2]" 1
221 1 101 ASP H 1 101 ASP HB3 . . 3.580 3.277 3.068 3.482 . 0 0 "[ . 1 . 2]" 1
222 1 100 GLY H 1 101 ASP H . . 4.600 4.185 4.025 4.332 . 0 0 "[ . 1 . 2]" 1
223 1 103 PRO HB2 1 104 LEU H . . 3.810 3.204 2.856 3.612 . 0 0 "[ . 1 . 2]" 1
224 1 104 LEU H 1 104 LEU HB2 . . 3.250 2.368 2.124 2.527 . 0 0 "[ . 1 . 2]" 1
225 1 104 LEU H 1 104 LEU HB3 . . 4.010 3.574 3.446 3.619 . 0 0 "[ . 1 . 2]" 1
226 1 104 LEU H 1 104 LEU HG . . 4.140 2.746 2.310 3.116 . 0 0 "[ . 1 . 2]" 1
227 1 94 LEU MD1 1 104 LEU H . . 5.500 5.129 4.855 5.463 . 0 0 "[ . 1 . 2]" 1
228 1 104 LEU H 1 104 LEU MD1 . . 4.120 2.866 2.376 3.642 . 0 0 "[ . 1 . 2]" 1
229 1 104 LEU H 1 104 LEU MD2 . . 4.120 4.066 3.782 4.125 0.005 16 0 "[ . 1 . 2]" 1
230 1 81 GLY H 1 83 LEU H . . 5.500 5.354 5.082 5.502 0.002 5 0 "[ . 1 . 2]" 1
231 1 34 THR HA 1 83 LEU H . . 4.950 4.830 4.305 4.945 . 0 0 "[ . 1 . 2]" 1
232 1 81 GLY HA2 1 83 LEU H . . 4.400 3.389 3.175 3.507 . 0 0 "[ . 1 . 2]" 1
233 1 82 ASN HB2 1 83 LEU H . . 4.830 4.547 4.476 4.593 . 0 0 "[ . 1 . 2]" 1
234 1 80 ILE MG 1 83 LEU H . . 4.950 4.827 4.575 4.951 0.001 13 0 "[ . 1 . 2]" 1
235 1 83 LEU H 1 84 VAL H . . 4.750 4.437 4.386 4.514 . 0 0 "[ . 1 . 2]" 1
236 1 33 THR HB 1 83 LEU H . . 3.110 2.366 2.057 2.931 . 0 0 "[ . 1 . 2]" 1
237 1 82 ASN HA 1 83 LEU H . . 3.330 2.866 2.806 2.974 . 0 0 "[ . 1 . 2]" 1
238 1 81 GLY HA3 1 83 LEU H . . 4.400 4.282 4.104 4.403 0.003 16 0 "[ . 1 . 2]" 1
239 1 82 ASN HB3 1 83 LEU H . . 4.830 4.145 4.030 4.205 . 0 0 "[ . 1 . 2]" 1
240 1 83 LEU H 1 83 LEU HG . . 3.050 2.271 2.088 2.469 . 0 0 "[ . 1 . 2]" 1
241 1 83 LEU H 1 83 LEU MD2 . . 3.730 3.371 3.185 3.733 0.003 19 0 "[ . 1 . 2]" 1
242 1 89 TYR H 1 112 THR H . . 5.000 4.716 4.520 5.002 0.002 17 0 "[ . 1 . 2]" 1
243 1 111 ILE H 1 112 THR H . . 4.730 4.549 4.500 4.578 . 0 0 "[ . 1 . 2]" 1
244 1 112 THR H 1 113 GLN H . . 4.400 4.153 4.034 4.224 . 0 0 "[ . 1 . 2]" 1
245 1 112 THR H 1 112 THR HG1 . . 4.350 2.748 1.954 3.441 . 0 0 "[ . 1 . 2]" 1
246 1 111 ILE HA 1 112 THR H . . 2.880 2.191 2.150 2.224 . 0 0 "[ . 1 . 2]" 1
247 1 88 THR HA 1 112 THR H . . 3.980 3.932 3.815 3.982 0.002 2 0 "[ . 1 . 2]" 1
248 1 86 GLN HA 1 112 THR H . . 4.600 4.213 3.867 4.385 . 0 0 "[ . 1 . 2]" 1
249 1 112 THR H 1 113 GLN QG . . 5.310 5.008 4.249 5.242 . 0 0 "[ . 1 . 2]" 1
250 1 111 ILE HB 1 112 THR H . . 4.490 4.049 3.950 4.200 . 0 0 "[ . 1 . 2]" 1
251 1 111 ILE HG13 1 112 THR H . . 4.740 4.541 4.468 4.610 . 0 0 "[ . 1 . 2]" 1
252 1 112 THR H 1 112 THR MG . . 3.400 2.768 2.537 2.913 . 0 0 "[ . 1 . 2]" 1
253 1 111 ILE MG 1 112 THR H . . 3.330 2.242 2.024 2.566 . 0 0 "[ . 1 . 2]" 1
254 1 86 GLN H 1 112 THR H . . 4.340 4.007 3.807 4.118 . 0 0 "[ . 1 . 2]" 1
255 1 29 MET ME 1 112 THR H . . 4.960 4.188 4.102 4.288 . 0 0 "[ . 1 . 2]" 1
256 1 77 ILE H 1 78 THR H . . 4.230 4.154 4.107 4.238 0.008 14 0 "[ . 1 . 2]" 1
257 1 39 TRP HH2 1 78 THR H . . 4.710 4.412 3.533 4.710 . 0 0 "[ . 1 . 2]" 1
258 1 39 TRP HZ3 1 78 THR H . . 4.510 3.500 2.715 3.916 . 0 0 "[ . 1 . 2]" 1
259 1 36 LEU HA 1 78 THR H . . 5.300 4.758 4.603 4.983 . 0 0 "[ . 1 . 2]" 1
260 1 77 ILE HA 1 78 THR H . . 2.870 2.181 2.163 2.230 . 0 0 "[ . 1 . 2]" 1
261 1 78 THR H 1 78 THR HB . . 4.090 3.303 3.244 3.382 . 0 0 "[ . 1 . 2]" 1
262 1 38 GLN HB3 1 78 THR H . . 4.890 4.548 4.113 4.892 0.002 12 0 "[ . 1 . 2]" 1
263 1 77 ILE HG13 1 78 THR H . . 3.510 2.731 2.481 2.960 . 0 0 "[ . 1 . 2]" 1
264 1 78 THR H 1 78 THR MG . . 3.280 2.339 2.194 2.436 . 0 0 "[ . 1 . 2]" 1
265 1 78 THR H 1 79 THR MG . . 4.730 4.312 4.117 4.535 . 0 0 "[ . 1 . 2]" 1
266 1 77 ILE HG12 1 78 THR H . . 4.010 2.827 2.562 2.978 . 0 0 "[ . 1 . 2]" 1
267 1 77 ILE MG 1 78 THR H . . 4.070 3.805 3.691 3.878 . 0 0 "[ . 1 . 2]" 1
268 1 37 VAL HB 1 78 THR H . . 4.270 3.356 3.153 3.714 . 0 0 "[ . 1 . 2]" 1
269 1 16 GLN H 1 99 ILE MG . . 4.690 4.590 4.490 4.695 0.005 20 0 "[ . 1 . 2]" 1
270 1 15 GLU HA 1 16 GLN H . . 2.750 2.184 2.142 2.381 . 0 0 "[ . 1 . 2]" 1
271 1 16 GLN H 1 46 ASN QB . . 4.080 2.570 1.924 3.630 . 0 0 "[ . 1 . 2]" 1
272 1 16 GLN H 1 16 GLN HB2 . . 4.100 2.816 2.357 3.770 . 0 0 "[ . 1 . 2]" 1
273 1 16 GLN H 1 16 GLN QG . . 4.510 3.373 1.937 4.125 . 0 0 "[ . 1 . 2]" 1
274 1 15 GLU HB3 1 16 GLN H . . 3.380 3.179 2.478 3.383 0.003 11 0 "[ . 1 . 2]" 1
275 1 15 GLU HB2 1 16 GLN H . . 4.410 4.157 3.704 4.286 . 0 0 "[ . 1 . 2]" 1
276 1 16 GLN H 1 16 GLN HB3 . . 4.100 3.414 3.230 3.468 . 0 0 "[ . 1 . 2]" 1
277 1 16 GLN H 1 99 ILE HG13 . . 4.260 3.686 3.415 3.844 . 0 0 "[ . 1 . 2]" 1
278 1 16 GLN H 1 99 ILE MD . . 4.800 4.654 4.259 4.803 0.003 4 0 "[ . 1 . 2]" 1
279 1 75 SER HA 1 76 GLN H . . 3.540 3.452 3.398 3.505 . 0 0 "[ . 1 . 2]" 1
280 1 75 SER HB2 1 76 GLN H . . 3.790 3.398 2.987 3.653 . 0 0 "[ . 1 . 2]" 1
281 1 75 SER HB3 1 76 GLN H . . 3.790 3.398 3.009 3.752 . 0 0 "[ . 1 . 2]" 1
282 1 76 GLN H 1 76 GLN QB . . 3.870 3.114 3.090 3.161 . 0 0 "[ . 1 . 2]" 1
283 1 76 GLN H 1 76 GLN HG3 . . 3.710 3.328 3.074 3.458 . 0 0 "[ . 1 . 2]" 1
284 1 76 GLN H 1 77 ILE MG . . 4.330 4.297 4.250 4.335 0.005 12 0 "[ . 1 . 2]" 1
285 1 97 THR HG1 1 99 ILE H . . 3.690 2.604 1.999 3.126 . 0 0 "[ . 1 . 2]" 1
286 1 99 ILE H 1 99 ILE MD . . 3.660 3.178 2.897 3.322 . 0 0 "[ . 1 . 2]" 1
287 1 98 SER H 1 99 ILE H . . 4.000 2.693 2.641 2.721 . 0 0 "[ . 1 . 2]" 1
288 1 97 THR H 1 99 ILE H . . 4.450 4.200 4.131 4.259 . 0 0 "[ . 1 . 2]" 1
289 1 17 ALA HA 1 99 ILE H . . 4.740 4.081 3.893 4.205 . 0 0 "[ . 1 . 2]" 1
290 1 99 ILE H 1 99 ILE HB . . 3.200 2.560 2.515 2.650 . 0 0 "[ . 1 . 2]" 1
291 1 99 ILE H 1 99 ILE HG12 . . 3.170 2.117 1.950 2.230 . 0 0 "[ . 1 . 2]" 1
292 1 99 ILE H 1 99 ILE HG13 . . 3.840 3.606 3.487 3.694 . 0 0 "[ . 1 . 2]" 1
293 1 99 ILE H 1 99 ILE MG . . 4.010 3.769 3.766 3.775 . 0 0 "[ . 1 . 2]" 1
294 1 23 ARG HA 1 24 ASP H . . 3.050 2.546 2.483 2.598 . 0 0 "[ . 1 . 2]" 1
295 1 24 ASP H 1 24 ASP HA . . 2.880 2.277 2.275 2.281 . 0 0 "[ . 1 . 2]" 1
296 1 24 ASP H 1 24 ASP HB2 . . 4.100 2.999 2.958 3.046 . 0 0 "[ . 1 . 2]" 1
297 1 24 ASP H 1 24 ASP HB3 . . 4.100 3.864 3.754 3.969 . 0 0 "[ . 1 . 2]" 1
298 1 23 ARG HB2 1 24 ASP H . . 3.960 3.085 2.209 3.267 . 0 0 "[ . 1 . 2]" 1
299 1 23 ARG HB3 1 24 ASP H . . 3.960 2.298 2.154 3.487 . 0 0 "[ . 1 . 2]" 1
300 1 87 LYS H 1 112 THR H . . 3.600 2.696 2.523 2.927 . 0 0 "[ . 1 . 2]" 1
301 1 86 GLN H 1 87 LYS H . . 3.260 2.830 2.644 2.931 . 0 0 "[ . 1 . 2]" 1
302 1 87 LYS H 1 88 THR H . . 4.210 4.143 4.104 4.245 0.035 18 0 "[ . 1 . 2]" 1
303 1 87 LYS H 1 89 TYR QD . . 4.990 4.534 4.195 4.803 . 0 0 "[ . 1 . 2]" 1
304 1 87 LYS H 1 112 THR HG1 . . 3.430 2.262 1.936 2.657 . 0 0 "[ . 1 . 2]" 1
305 1 87 LYS H 1 111 ILE HA . . 4.410 4.189 4.028 4.453 0.043 18 0 "[ . 1 . 2]" 1
306 1 87 LYS H 1 112 THR HA . . 5.300 4.896 4.801 5.062 . 0 0 "[ . 1 . 2]" 1
307 1 86 GLN HA 1 87 LYS H . . 3.200 2.678 2.626 2.798 . 0 0 "[ . 1 . 2]" 1
308 1 86 GLN HB2 1 87 LYS H . . 4.690 4.321 4.204 4.407 . 0 0 "[ . 1 . 2]" 1
309 1 86 GLN HB3 1 87 LYS H . . 4.690 4.431 4.353 4.503 . 0 0 "[ . 1 . 2]" 1
310 1 87 LYS H 1 87 LYS HB2 . . 3.400 2.797 2.589 2.867 . 0 0 "[ . 1 . 2]" 1
311 1 87 LYS H 1 87 LYS HD3 . . 4.810 4.737 4.619 4.814 0.004 17 0 "[ . 1 . 2]" 1
312 1 87 LYS H 1 87 LYS HG2 . . 3.670 3.502 3.401 3.598 . 0 0 "[ . 1 . 2]" 1
313 1 84 VAL MG1 1 87 LYS H . . 5.500 4.510 4.315 5.504 0.004 17 0 "[ . 1 . 2]" 1
314 1 84 VAL MG2 1 87 LYS H . . 5.500 5.064 4.871 5.598 0.098 5 0 "[ . 1 . 2]" 1
315 1 87 LYS H 1 112 THR MG . . 4.000 3.790 3.371 4.048 0.048 19 0 "[ . 1 . 2]" 1
316 1 87 LYS H 1 111 ILE MG . . 4.050 2.852 2.617 3.324 . 0 0 "[ . 1 . 2]" 1
317 1 24 ASP H 1 25 VAL H . . 3.260 2.726 2.668 2.785 . 0 0 "[ . 1 . 2]" 1
318 1 25 VAL H 1 39 TRP HA . . 4.430 4.117 3.995 4.213 . 0 0 "[ . 1 . 2]" 1
319 1 23 ARG HA 1 25 VAL H . . 3.550 3.199 3.123 3.349 . 0 0 "[ . 1 . 2]" 1
320 1 24 ASP HA 1 25 VAL H . . 3.160 2.944 2.860 2.998 . 0 0 "[ . 1 . 2]" 1
321 1 25 VAL H 1 39 TRP HB3 . . 4.850 4.535 4.204 4.892 0.042 14 0 "[ . 1 . 2]" 1
322 1 24 ASP HB2 1 25 VAL H . . 4.480 4.396 4.273 4.455 . 0 0 "[ . 1 . 2]" 1
323 1 24 ASP HB3 1 25 VAL H . . 4.480 4.096 4.026 4.176 . 0 0 "[ . 1 . 2]" 1
324 1 25 VAL H 1 25 VAL HB . . 3.040 2.655 2.495 2.955 . 0 0 "[ . 1 . 2]" 1
325 1 25 VAL H 1 25 VAL MG2 . . 3.910 2.552 2.011 3.825 . 0 0 "[ . 1 . 2]" 1
326 1 25 VAL H 1 108 ILE MD . . 5.500 5.352 4.910 5.504 0.004 8 0 "[ . 1 . 2]" 1
327 1 73 ALA H 1 74 ASP H . . 4.180 3.244 3.093 3.413 . 0 0 "[ . 1 . 2]" 1
328 1 51 GLY HA2 1 74 ASP H . . 4.150 2.138 1.949 2.804 . 0 0 "[ . 1 . 2]" 1
329 1 73 ALA HA 1 74 ASP H . . 3.000 2.521 2.442 2.608 . 0 0 "[ . 1 . 2]" 1
330 1 51 GLY HA3 1 74 ASP H . . 4.150 3.047 2.682 4.152 0.002 8 0 "[ . 1 . 2]" 1
331 1 74 ASP H 1 74 ASP HB2 . . 3.860 3.005 2.963 3.126 . 0 0 "[ . 1 . 2]" 1
332 1 74 ASP H 1 74 ASP HB3 . . 3.860 3.710 3.649 3.832 . 0 0 "[ . 1 . 2]" 1
333 1 28 ARG H 1 36 LEU H . . 3.350 3.175 2.897 3.376 0.026 19 0 "[ . 1 . 2]" 1
334 1 27 ALA H 1 28 ARG H . . 4.370 4.340 4.220 4.372 0.002 10 0 "[ . 1 . 2]" 1
335 1 27 ALA HA 1 28 ARG H . . 2.690 2.145 2.142 2.151 . 0 0 "[ . 1 . 2]" 1
336 1 28 ARG H 1 28 ARG HB2 . . 3.990 3.725 3.670 3.818 . 0 0 "[ . 1 . 2]" 1
337 1 28 ARG H 1 28 ARG HB3 . . 3.990 3.151 2.915 3.388 . 0 0 "[ . 1 . 2]" 1
338 1 28 ARG H 1 28 ARG HG2 . . 3.850 2.130 1.954 2.417 . 0 0 "[ . 1 . 2]" 1
339 1 28 ARG H 1 28 ARG HG3 . . 3.850 2.976 2.430 3.619 . 0 0 "[ . 1 . 2]" 1
340 1 27 ALA MB 1 28 ARG H . . 3.310 3.180 3.121 3.212 . 0 0 "[ . 1 . 2]" 1
341 1 40 LYS H 1 76 GLN HE21 . . 5.360 4.965 4.808 5.348 . 0 0 "[ . 1 . 2]" 1
342 1 39 TRP HD1 1 40 LYS H . . 4.130 3.300 3.113 3.537 . 0 0 "[ . 1 . 2]" 1
343 1 39 TRP HA 1 40 LYS H . . 3.040 2.523 2.454 2.546 . 0 0 "[ . 1 . 2]" 1
344 1 25 VAL HA 1 40 LYS H . . 4.640 4.491 4.160 4.643 0.003 11 0 "[ . 1 . 2]" 1
345 1 39 TRP HB3 1 40 LYS H . . 3.730 3.638 3.550 3.732 0.002 19 0 "[ . 1 . 2]" 1
346 1 39 TRP HB2 1 40 LYS H . . 3.280 2.201 2.135 2.337 . 0 0 "[ . 1 . 2]" 1
347 1 24 ASP HB2 1 40 LYS H . . 4.510 3.635 3.074 4.474 . 0 0 "[ . 1 . 2]" 1
348 1 24 ASP HB3 1 40 LYS H . . 4.510 2.973 2.420 3.816 . 0 0 "[ . 1 . 2]" 1
349 1 40 LYS H 1 40 LYS HB3 . . 3.760 3.567 3.422 3.656 . 0 0 "[ . 1 . 2]" 1
350 1 40 LYS H 1 40 LYS HB2 . . 3.460 2.403 2.335 2.478 . 0 0 "[ . 1 . 2]" 1
351 1 22 PRO HB2 1 40 LYS H . . 4.080 3.908 3.549 4.082 0.002 11 0 "[ . 1 . 2]" 1
352 1 57 THR H 1 90 SER H . . 3.520 3.142 2.847 3.271 . 0 0 "[ . 1 . 2]" 1
353 1 89 TYR QD 1 90 SER H . . 4.240 3.250 2.980 3.580 . 0 0 "[ . 1 . 2]" 1
354 1 56 TYR HA 1 90 SER H . . 4.450 4.276 4.042 4.434 . 0 0 "[ . 1 . 2]" 1
355 1 89 TYR HA 1 90 SER H . . 2.890 2.171 2.144 2.236 . 0 0 "[ . 1 . 2]" 1
356 1 58 MET HA 1 90 SER H . . 4.080 4.022 3.629 4.090 0.010 4 0 "[ . 1 . 2]" 1
357 1 90 SER H 1 90 SER HB2 . . 3.930 2.626 2.162 3.609 . 0 0 "[ . 1 . 2]" 1
358 1 90 SER H 1 90 SER HB3 . . 3.930 3.200 2.319 3.657 . 0 0 "[ . 1 . 2]" 1
359 1 56 TYR HB2 1 90 SER H . . 5.210 4.726 4.371 5.059 . 0 0 "[ . 1 . 2]" 1
360 1 89 TYR HB2 1 90 SER H . . 5.450 4.378 4.266 4.462 . 0 0 "[ . 1 . 2]" 1
361 1 89 TYR HB3 1 90 SER H . . 3.820 3.338 3.161 3.503 . 0 0 "[ . 1 . 2]" 1
362 1 60 PRO HB3 1 90 SER H . . 5.200 4.445 3.695 5.165 . 0 0 "[ . 1 . 2]" 1
363 1 90 SER H 1 91 VAL MG2 . . 4.610 4.255 4.143 4.372 . 0 0 "[ . 1 . 2]" 1
364 1 57 THR MG 1 90 SER H . . 4.410 4.233 3.885 4.412 0.002 17 0 "[ . 1 . 2]" 1
365 1 89 TYR H 1 90 SER H . . 4.650 4.303 4.117 4.391 . 0 0 "[ . 1 . 2]" 1
366 1 65 ASN H 1 66 ASN H . . 3.650 2.606 2.421 2.742 . 0 0 "[ . 1 . 2]" 1
367 1 66 ASN H 1 67 TRP H . . 3.030 2.311 1.933 2.658 . 0 0 "[ . 1 . 2]" 1
368 1 64 VAL H 1 66 ASN H . . 4.690 3.726 2.559 4.194 . 0 0 "[ . 1 . 2]" 1
369 1 66 ASN H 1 67 TRP HD1 . . 3.970 3.683 3.251 3.956 . 0 0 "[ . 1 . 2]" 1
370 1 66 ASN H 1 67 TRP HB2 . . 4.990 4.491 4.080 4.845 . 0 0 "[ . 1 . 2]" 1
371 1 66 ASN H 1 66 ASN HB2 . . 3.520 2.334 2.065 2.724 . 0 0 "[ . 1 . 2]" 1
372 1 65 ASN QB 1 66 ASN H . . 3.530 3.198 2.909 3.601 0.071 2 0 "[ . 1 . 2]" 1
373 1 64 VAL HA 1 66 ASN H . . 4.210 3.881 3.477 4.218 0.008 11 0 "[ . 1 . 2]" 1
374 1 62 GLN HB3 1 66 ASN H . . 5.280 4.879 4.271 5.277 . 0 0 "[ . 1 . 2]" 1
375 1 64 VAL MG1 1 66 ASN H . . 5.500 4.821 4.458 5.194 . 0 0 "[ . 1 . 2]" 1
376 1 64 VAL MG2 1 66 ASN H . . 5.500 4.729 4.105 5.244 . 0 0 "[ . 1 . 2]" 1
377 1 90 SER HA 1 108 ILE H . . 4.000 5.156 4.859 5.331 1.331 15 20 [*******-******+*****] 1
378 1 91 VAL HA 1 108 ILE H . . 5.500 5.430 5.164 5.508 0.008 8 0 "[ . 1 . 2]" 1
379 1 107 ASP HA 1 108 ILE H . . 2.810 2.150 2.139 2.185 . 0 0 "[ . 1 . 2]" 1
380 1 92 LYS QE 1 108 ILE H . . 5.170 4.619 4.192 4.908 . 0 0 "[ . 1 . 2]" 1
381 1 107 ASP HB3 1 108 ILE H . . 4.480 3.924 3.501 4.337 . 0 0 "[ . 1 . 2]" 1
382 1 108 ILE H 1 108 ILE HB . . 3.940 3.712 3.654 3.793 . 0 0 "[ . 1 . 2]" 1
383 1 91 VAL HB 1 108 ILE H . . 4.450 4.227 3.935 4.454 0.004 19 0 "[ . 1 . 2]" 1
384 1 108 ILE H 1 108 ILE HG13 . . 3.610 2.655 2.464 2.800 . 0 0 "[ . 1 . 2]" 1
385 1 108 ILE H 1 108 ILE HG12 . . 3.510 2.139 1.949 2.424 . 0 0 "[ . 1 . 2]" 1
386 1 108 ILE H 1 108 ILE MG . . 3.670 2.945 2.572 3.146 . 0 0 "[ . 1 . 2]" 1
387 1 108 ILE H 1 108 ILE MD . . 4.000 3.754 3.653 3.923 . 0 0 "[ . 1 . 2]" 1
388 1 91 VAL MG2 1 108 ILE H . . 5.340 5.258 5.010 5.342 0.002 14 0 "[ . 1 . 2]" 1
389 1 69 LYS H 1 70 HIS H . . 4.590 4.363 4.114 4.430 . 0 0 "[ . 1 . 2]" 1
390 1 56 TYR QE 1 69 LYS H . . 4.580 4.503 4.265 4.588 0.008 9 0 "[ . 1 . 2]" 1
391 1 68 MET QG 1 69 LYS H . . 4.430 4.317 3.650 4.437 0.007 10 0 "[ . 1 . 2]" 1
392 1 68 MET HB3 1 69 LYS H . . 3.260 2.791 2.232 3.038 . 0 0 "[ . 1 . 2]" 1
393 1 69 LYS H 1 69 LYS HG3 . . 3.760 2.897 2.592 3.313 . 0 0 "[ . 1 . 2]" 1
394 1 68 MET HB2 1 69 LYS H . . 3.760 3.131 2.852 3.536 . 0 0 "[ . 1 . 2]" 1
395 1 69 LYS H 1 69 LYS HG2 . . 4.340 3.436 2.902 4.184 . 0 0 "[ . 1 . 2]" 1
396 1 87 LYS HA 1 88 THR H . . 3.040 2.147 2.144 2.154 . 0 0 "[ . 1 . 2]" 1
397 1 88 THR H 1 88 THR HB . . 3.220 2.602 2.523 2.774 . 0 0 "[ . 1 . 2]" 1
398 1 87 LYS HB3 1 88 THR H . . 3.460 3.359 3.281 3.399 . 0 0 "[ . 1 . 2]" 1
399 1 88 THR H 1 88 THR MG . . 3.840 3.762 3.738 3.768 . 0 0 "[ . 1 . 2]" 1
400 1 88 THR H 1 111 ILE MG . . 4.490 4.170 3.951 4.404 . 0 0 "[ . 1 . 2]" 1
401 1 87 LYS HD2 1 88 THR H . . 3.570 3.314 3.216 3.476 . 0 0 "[ . 1 . 2]" 1
402 1 87 LYS HD3 1 88 THR H . . 4.810 4.479 3.884 4.747 . 0 0 "[ . 1 . 2]" 1
403 1 36 LEU HA 1 79 THR H . . 5.490 4.945 4.825 5.284 . 0 0 "[ . 1 . 2]" 1
404 1 78 THR H 1 79 THR H . . 4.490 4.358 4.274 4.401 . 0 0 "[ . 1 . 2]" 1
405 1 79 THR H 1 80 ILE H . . 4.730 4.301 4.164 4.398 . 0 0 "[ . 1 . 2]" 1
406 1 78 THR HA 1 79 THR H . . 3.090 2.277 2.189 2.374 . 0 0 "[ . 1 . 2]" 1
407 1 78 THR HB 1 79 THR H . . 4.190 3.981 3.819 4.152 . 0 0 "[ . 1 . 2]" 1
408 1 78 THR MG 1 79 THR H . . 3.740 3.588 3.320 3.742 0.002 14 0 "[ . 1 . 2]" 1
409 1 79 THR H 1 79 THR MG . . 3.680 3.146 2.830 3.402 . 0 0 "[ . 1 . 2]" 1
410 1 77 ILE HG12 1 79 THR H . . 5.500 4.976 4.670 5.212 . 0 0 "[ . 1 . 2]" 1
411 1 85 PRO HG2 1 86 GLN H . . 5.030 4.673 4.550 4.953 . 0 0 "[ . 1 . 2]" 1
412 1 86 GLN H 1 112 THR HG1 . . 3.900 3.162 1.950 3.672 . 0 0 "[ . 1 . 2]" 1
413 1 85 PRO HB2 1 86 GLN H . . 4.110 2.995 2.789 3.516 . 0 0 "[ . 1 . 2]" 1
414 1 86 GLN H 1 112 THR MG . . 4.520 4.343 4.003 4.534 0.014 19 0 "[ . 1 . 2]" 1
415 1 86 GLN H 1 111 ILE MG . . 4.720 3.765 3.616 3.991 . 0 0 "[ . 1 . 2]" 1
416 1 105 SER HG 1 106 SER H . . 4.050 3.600 3.230 4.049 . 0 0 "[ . 1 . 2]" 1
417 1 105 SER HA 1 106 SER H . . 3.030 2.577 2.434 2.713 . 0 0 "[ . 1 . 2]" 1
418 1 21 ALA MB 1 106 SER H . . 4.340 3.999 3.700 4.252 . 0 0 "[ . 1 . 2]" 1
419 1 13 THR H 1 13 THR MG . . 4.420 3.339 2.039 4.017 . 0 0 "[ . 1 . 2]" 1
420 1 39 TRP H 1 40 LYS H . . 4.600 4.415 4.388 4.471 . 0 0 "[ . 1 . 2]" 1
421 1 39 TRP H 1 39 TRP HD1 . . 4.610 4.391 4.198 4.517 . 0 0 "[ . 1 . 2]" 1
422 1 38 GLN HA 1 39 TRP H . . 2.740 2.182 2.143 2.231 . 0 0 "[ . 1 . 2]" 1
423 1 39 TRP H 1 77 ILE HA . . 3.690 3.609 3.408 3.702 0.012 17 0 "[ . 1 . 2]" 1
424 1 39 TRP H 1 76 GLN HA . . 4.250 3.899 3.753 4.224 . 0 0 "[ . 1 . 2]" 1
425 1 39 TRP H 1 39 TRP HB3 . . 4.170 3.291 3.100 3.397 . 0 0 "[ . 1 . 2]" 1
426 1 39 TRP H 1 76 GLN QB . . 3.860 3.607 3.508 3.797 . 0 0 "[ . 1 . 2]" 1
427 1 38 GLN QG 1 39 TRP H . . 4.200 4.110 3.893 4.202 0.002 18 0 "[ . 1 . 2]" 1
428 1 38 GLN HB2 1 39 TRP H . . 3.250 3.123 2.899 3.367 0.117 20 0 "[ . 1 . 2]" 1
429 1 38 GLN HB3 1 39 TRP H . . 4.370 4.099 3.952 4.250 . 0 0 "[ . 1 . 2]" 1
430 1 39 TRP H 1 77 ILE HB . . 4.360 4.258 3.907 4.377 0.017 20 0 "[ . 1 . 2]" 1
431 1 25 VAL MG1 1 39 TRP H . . 5.500 5.496 5.078 5.783 0.283 20 0 "[ . 1 . 2]" 1
432 1 25 VAL MG2 1 39 TRP H . . 5.500 4.793 3.631 5.254 . 0 0 "[ . 1 . 2]" 1
433 1 39 TRP H 1 77 ILE MG . . 5.500 5.390 5.210 5.459 . 0 0 "[ . 1 . 2]" 1
434 1 104 LEU H 1 105 SER H . . 4.860 4.589 4.546 4.634 . 0 0 "[ . 1 . 2]" 1
435 1 105 SER H 1 105 SER HG . . 4.020 2.887 1.949 3.545 . 0 0 "[ . 1 . 2]" 1
436 1 94 LEU HA 1 105 SER H . . 4.550 4.051 3.809 4.325 . 0 0 "[ . 1 . 2]" 1
437 1 92 LYS HA 1 105 SER H . . 4.690 4.473 4.154 4.693 0.003 20 0 "[ . 1 . 2]" 1
438 1 104 LEU HA 1 105 SER H . . 2.950 2.477 2.350 2.581 . 0 0 "[ . 1 . 2]" 1
439 1 105 SER H 1 105 SER HB3 . . 4.170 2.532 2.245 3.117 . 0 0 "[ . 1 . 2]" 1
440 1 92 LYS HB3 1 105 SER H . . 4.320 3.733 3.176 4.321 0.001 3 0 "[ . 1 . 2]" 1
441 1 104 LEU HB2 1 105 SER H . . 4.770 3.555 3.302 3.932 . 0 0 "[ . 1 . 2]" 1
442 1 104 LEU HB3 1 105 SER H . . 3.710 2.263 2.047 2.559 . 0 0 "[ . 1 . 2]" 1
443 1 104 LEU MD1 1 105 SER H . . 4.780 4.615 4.355 4.779 . 0 0 "[ . 1 . 2]" 1
444 1 75 SER H 1 77 ILE H . . 4.200 3.795 3.641 4.044 . 0 0 "[ . 1 . 2]" 1
445 1 39 TRP HZ2 1 75 SER H . . 4.760 4.470 4.082 4.756 . 0 0 "[ . 1 . 2]" 1
446 1 52 TYR QE 1 75 SER H . . 5.060 3.404 2.982 3.983 . 0 0 "[ . 1 . 2]" 1
447 1 39 TRP HE1 1 75 SER H . . 5.500 5.468 5.224 5.504 0.004 3 0 "[ . 1 . 2]" 1
448 1 74 ASP HA 1 75 SER H . . 2.690 2.595 2.537 2.730 0.040 8 0 "[ . 1 . 2]" 1
449 1 75 SER H 1 75 SER HB3 . . 4.000 3.341 3.050 3.600 . 0 0 "[ . 1 . 2]" 1
450 1 74 ASP HB2 1 75 SER H . . 4.850 4.640 4.576 4.655 . 0 0 "[ . 1 . 2]" 1
451 1 74 ASP HB3 1 75 SER H . . 4.850 4.339 4.254 4.378 . 0 0 "[ . 1 . 2]" 1
452 1 73 ALA MB 1 75 SER H . . 5.030 4.673 4.515 4.777 . 0 0 "[ . 1 . 2]" 1
453 1 72 VAL MG1 1 75 SER H . . 4.810 2.544 2.185 3.960 . 0 0 "[ . 1 . 2]" 1
454 1 72 VAL MG2 1 75 SER H . . 4.810 4.459 3.199 4.733 . 0 0 "[ . 1 . 2]" 1
455 1 113 GLN HA 1 114 THR H . . 3.320 2.320 2.144 3.106 . 0 0 "[ . 1 . 2]" 1
456 1 113 GLN QG 1 114 THR H . . 4.250 3.826 3.392 4.326 0.076 19 0 "[ . 1 . 2]" 1
457 1 113 GLN HB2 1 114 THR H . . 4.490 3.330 2.834 4.516 0.026 16 0 "[ . 1 . 2]" 1
458 1 113 GLN HB3 1 114 THR H . . 4.520 4.242 3.999 4.580 0.060 14 0 "[ . 1 . 2]" 1
459 1 10 LEU HA 1 11 THR H . . 3.230 2.411 2.159 2.889 . 0 0 "[ . 1 . 2]" 1
460 1 11 THR H 1 11 THR HB . . 4.210 3.286 2.602 3.781 . 0 0 "[ . 1 . 2]" 1
461 1 11 THR H 1 11 THR MG . . 4.370 3.320 2.108 4.015 . 0 0 "[ . 1 . 2]" 1
462 1 30 LEU H 1 31 SER H . . 2.830 1.886 1.795 1.900 . 0 0 "[ . 1 . 2]" 1
463 1 31 SER H 1 35 ILE HA . . 4.380 4.223 3.550 4.410 0.030 19 0 "[ . 1 . 2]" 1
464 1 30 LEU HA 1 31 SER H . . 3.500 3.481 3.428 3.514 0.014 17 0 "[ . 1 . 2]" 1
465 1 31 SER H 1 34 THR HB . . 3.920 3.270 3.098 3.519 . 0 0 "[ . 1 . 2]" 1
466 1 30 LEU HB2 1 31 SER H . . 4.110 2.882 2.729 3.077 . 0 0 "[ . 1 . 2]" 1
467 1 30 LEU HB3 1 31 SER H . . 4.110 4.031 3.707 4.134 0.024 19 0 "[ . 1 . 2]" 1
468 1 31 SER H 1 34 THR MG . . 5.310 4.771 4.542 4.984 . 0 0 "[ . 1 . 2]" 1
469 1 30 LEU MD1 1 31 SER H . . 5.500 4.521 4.353 4.872 . 0 0 "[ . 1 . 2]" 1
470 1 30 LEU MD2 1 31 SER H . . 5.500 4.636 4.546 4.942 . 0 0 "[ . 1 . 2]" 1
471 1 31 SER H 1 35 ILE MG . . 4.700 4.586 3.646 4.703 0.003 14 0 "[ . 1 . 2]" 1
472 1 53 ARG H 1 96 PHE H . . 5.260 5.113 4.671 5.268 0.008 3 0 "[ . 1 . 2]" 1
473 1 50 GLN H 1 96 PHE H . . 5.080 4.750 4.494 4.979 . 0 0 "[ . 1 . 2]" 1
474 1 96 PHE H 1 96 PHE QE . . 4.610 4.413 4.329 4.505 . 0 0 "[ . 1 . 2]" 1
475 1 96 PHE H 1 96 PHE QD . . 3.360 2.924 2.819 3.118 . 0 0 "[ . 1 . 2]" 1
476 1 52 TYR HA 1 96 PHE H . . 3.680 3.342 3.157 3.681 0.001 6 0 "[ . 1 . 2]" 1
477 1 95 ALA HA 1 96 PHE H . . 3.020 2.213 2.182 2.261 . 0 0 "[ . 1 . 2]" 1
478 1 49 ILE HA 1 96 PHE H . . 5.230 4.901 4.583 5.106 . 0 0 "[ . 1 . 2]" 1
479 1 52 TYR QB 1 96 PHE H . . 5.200 4.787 4.607 5.072 . 0 0 "[ . 1 . 2]" 1
480 1 95 ALA MB 1 96 PHE H . . 3.390 2.882 2.707 3.001 . 0 0 "[ . 1 . 2]" 1
481 1 49 ILE MD 1 96 PHE H . . 4.410 3.506 3.194 3.896 . 0 0 "[ . 1 . 2]" 1
482 1 49 ILE MG 1 96 PHE H . . 3.660 3.343 3.052 3.660 . 0 0 "[ . 1 . 2]" 1
483 1 20 SER H 1 21 ALA H . . 3.000 4.182 4.124 4.258 1.258 18 20 [**************-**+**] 1
484 1 19 SER H 1 20 SER H . . 3.050 2.720 2.352 2.901 . 0 0 "[ . 1 . 2]" 1
485 1 20 SER H 1 102 GLY HA2 . . 5.040 4.675 4.334 4.867 . 0 0 "[ . 1 . 2]" 1
486 1 20 SER H 1 20 SER HB3 . . 4.080 3.143 2.636 3.758 . 0 0 "[ . 1 . 2]" 1
487 1 20 SER H 1 102 GLY HA3 . . 4.510 4.072 3.898 4.307 . 0 0 "[ . 1 . 2]" 1
488 1 20 SER H 1 20 SER HB2 . . 4.080 3.245 2.640 3.798 . 0 0 "[ . 1 . 2]" 1
489 1 20 SER H 1 103 PRO HD3 . . 4.400 3.893 3.694 4.124 . 0 0 "[ . 1 . 2]" 1
490 1 18 PRO HB3 1 20 SER H . . 4.410 4.329 4.208 4.416 0.006 13 0 "[ . 1 . 2]" 1
491 1 18 PRO HB2 1 20 SER H . . 3.850 2.972 2.898 3.020 . 0 0 "[ . 1 . 2]" 1
492 1 20 SER H 1 103 PRO HG3 . . 5.380 3.974 3.780 4.423 . 0 0 "[ . 1 . 2]" 1
493 1 20 SER H 1 103 PRO HG2 . . 4.520 3.633 3.371 4.071 . 0 0 "[ . 1 . 2]" 1
494 1 20 SER H 1 42 PRO HB3 . . 5.140 4.430 4.201 4.879 . 0 0 "[ . 1 . 2]" 1
495 1 20 SER H 1 95 ALA MB . . 5.020 4.472 4.142 4.854 . 0 0 "[ . 1 . 2]" 1
496 1 20 SER H 1 46 ASN HD22 . . 5.230 5.147 4.694 5.233 0.003 11 0 "[ . 1 . 2]" 1
497 1 20 SER H 1 103 PRO HD2 . . 4.400 2.685 2.442 2.918 . 0 0 "[ . 1 . 2]" 1
498 1 20 SER H 1 42 PRO HB2 . . 5.140 4.285 4.004 4.851 . 0 0 "[ . 1 . 2]" 1
499 1 76 GLN H 1 77 ILE H . . 2.780 2.626 2.613 2.653 . 0 0 "[ . 1 . 2]" 1
500 1 39 TRP HH2 1 77 ILE H . . 4.830 4.177 3.529 4.672 . 0 0 "[ . 1 . 2]" 1
501 1 75 SER HB2 1 77 ILE H . . 3.960 3.459 2.996 3.851 . 0 0 "[ . 1 . 2]" 1
502 1 75 SER HB3 1 77 ILE H . . 3.960 2.423 2.203 2.778 . 0 0 "[ . 1 . 2]" 1
503 1 76 GLN HA 1 77 ILE H . . 3.480 3.066 3.050 3.090 . 0 0 "[ . 1 . 2]" 1
504 1 76 GLN QB 1 77 ILE H . . 4.350 3.647 3.622 3.664 . 0 0 "[ . 1 . 2]" 1
505 1 76 GLN HG3 1 77 ILE H . . 5.190 5.106 4.950 5.192 0.002 11 0 "[ . 1 . 2]" 1
506 1 77 ILE H 1 77 ILE HB . . 3.640 3.436 3.425 3.457 . 0 0 "[ . 1 . 2]" 1
507 1 77 ILE H 1 78 THR MG . . 5.190 4.755 4.539 4.893 . 0 0 "[ . 1 . 2]" 1
508 1 77 ILE H 1 77 ILE HG12 . . 4.720 4.664 4.591 4.717 . 0 0 "[ . 1 . 2]" 1
509 1 77 ILE H 1 77 ILE MG . . 3.010 2.489 2.451 2.538 . 0 0 "[ . 1 . 2]" 1
510 1 42 PRO HB2 1 44 GLU H . . 4.220 2.423 2.117 2.558 . 0 0 "[ . 1 . 2]" 1
511 1 42 PRO HB3 1 44 GLU H . . 4.220 4.042 3.854 4.102 . 0 0 "[ . 1 . 2]" 1
512 1 30 LEU H 1 34 THR H . . 5.110 4.434 4.311 4.606 . 0 0 "[ . 1 . 2]" 1
513 1 34 THR H 1 35 ILE H . . 5.380 4.135 4.070 4.321 . 0 0 "[ . 1 . 2]" 1
514 1 31 SER H 1 34 THR H . . 3.670 3.320 3.038 3.491 . 0 0 "[ . 1 . 2]" 1
515 1 29 MET ME 1 34 THR H . . 4.010 2.872 2.755 3.118 . 0 0 "[ . 1 . 2]" 1
516 1 33 THR MG 1 34 THR H . . 4.620 4.391 4.354 4.412 . 0 0 "[ . 1 . 2]" 1
517 1 34 THR H 1 34 THR MG . . 3.990 3.967 3.918 4.006 0.016 14 0 "[ . 1 . 2]" 1
518 1 34 THR H 1 34 THR HB . . 3.530 3.249 3.212 3.308 . 0 0 "[ . 1 . 2]" 1
519 1 52 TYR H 1 96 PHE HZ . . 4.500 3.847 3.533 4.247 . 0 0 "[ . 1 . 2]" 1
520 1 52 TYR H 1 72 VAL H . . 4.480 3.979 3.414 4.431 . 0 0 "[ . 1 . 2]" 1
521 1 52 TYR H 1 53 ARG H . . 4.680 4.394 4.307 4.425 . 0 0 "[ . 1 . 2]" 1
522 1 52 TYR H 1 52 TYR QD . . 4.520 2.928 2.790 3.141 . 0 0 "[ . 1 . 2]" 1
523 1 52 TYR H 1 96 PHE QE . . 4.040 2.811 2.572 3.130 . 0 0 "[ . 1 . 2]" 1
524 1 52 TYR H 1 96 PHE QD . . 5.350 4.546 4.292 4.841 . 0 0 "[ . 1 . 2]" 1
525 1 52 TYR H 1 52 TYR QE . . 5.500 4.816 4.691 4.955 . 0 0 "[ . 1 . 2]" 1
526 1 51 GLY HA2 1 52 TYR H . . 3.220 2.759 2.586 2.880 . 0 0 "[ . 1 . 2]" 1
527 1 51 GLY HA3 1 52 TYR H . . 3.220 2.386 2.292 2.540 . 0 0 "[ . 1 . 2]" 1
528 1 52 TYR H 1 52 TYR QB . . 3.590 2.856 2.725 2.892 . 0 0 "[ . 1 . 2]" 1
529 1 19 SER H 1 46 ASN HD21 . . 3.640 2.620 2.201 3.102 . 0 0 "[ . 1 . 2]" 1
530 1 19 SER H 1 46 ASN HD22 . . 3.650 2.704 2.509 3.015 . 0 0 "[ . 1 . 2]" 1
531 1 18 PRO HA 1 19 SER H . . 3.250 2.159 2.151 2.202 . 0 0 "[ . 1 . 2]" 1
532 1 19 SER H 1 45 PRO HA . . 5.310 4.486 4.128 4.679 . 0 0 "[ . 1 . 2]" 1
533 1 19 SER H 1 102 GLY HA3 . . 5.500 5.294 5.041 5.501 0.001 2 0 "[ . 1 . 2]" 1
534 1 19 SER H 1 46 ASN QB . . 4.500 4.290 3.720 4.501 0.001 6 0 "[ . 1 . 2]" 1
535 1 18 PRO HB3 1 19 SER H . . 4.140 4.038 3.801 4.118 . 0 0 "[ . 1 . 2]" 1
536 1 18 PRO HG2 1 19 SER H . . 5.010 4.971 4.820 5.013 0.003 8 0 "[ . 1 . 2]" 1
537 1 18 PRO HB2 1 19 SER H . . 3.960 3.585 3.225 3.703 . 0 0 "[ . 1 . 2]" 1
538 1 80 ILE H 1 81 GLY H . . 4.540 4.500 4.453 4.543 0.003 8 0 "[ . 1 . 2]" 1
539 1 34 THR HA 1 81 GLY H . . 4.950 4.757 4.661 4.790 . 0 0 "[ . 1 . 2]" 1
540 1 80 ILE HA 1 81 GLY H . . 2.770 2.217 2.174 2.234 . 0 0 "[ . 1 . 2]" 1
541 1 81 GLY H 1 83 LEU HG . . 4.840 4.198 4.100 4.296 . 0 0 "[ . 1 . 2]" 1
542 1 34 THR MG 1 81 GLY H . . 4.330 4.292 3.877 4.333 0.003 12 0 "[ . 1 . 2]" 1
543 1 80 ILE HB 1 81 GLY H . . 4.420 3.976 3.934 4.102 . 0 0 "[ . 1 . 2]" 1
544 1 80 ILE HG12 1 81 GLY H . . 5.010 4.278 4.229 4.397 . 0 0 "[ . 1 . 2]" 1
545 1 80 ILE MG 1 81 GLY H . . 3.370 2.302 2.238 2.501 . 0 0 "[ . 1 . 2]" 1
546 1 80 ILE HG13 1 81 GLY H . . 5.010 4.920 4.821 5.017 0.007 19 0 "[ . 1 . 2]" 1
547 1 56 TYR H 1 57 THR H . . 4.360 4.203 4.094 4.264 . 0 0 "[ . 1 . 2]" 1
548 1 57 THR H 1 67 TRP HE3 . . 4.200 3.978 3.644 4.234 0.034 8 0 "[ . 1 . 2]" 1
549 1 57 THR H 1 89 TYR QD . . 3.850 3.223 2.813 3.508 . 0 0 "[ . 1 . 2]" 1
550 1 56 TYR QD 1 57 THR H . . 4.270 4.115 3.998 4.278 0.008 8 0 "[ . 1 . 2]" 1
551 1 56 TYR HA 1 57 THR H . . 2.990 2.157 2.150 2.163 . 0 0 "[ . 1 . 2]" 1
552 1 56 TYR HB3 1 57 THR H . . 4.260 4.251 4.224 4.264 0.004 18 0 "[ . 1 . 2]" 1
553 1 56 TYR HB2 1 57 THR H . . 3.630 3.247 3.203 3.288 . 0 0 "[ . 1 . 2]" 1
554 1 57 THR H 1 89 TYR HB3 . . 5.050 4.822 4.673 5.036 . 0 0 "[ . 1 . 2]" 1
555 1 57 THR H 1 68 MET HB2 . . 5.500 5.141 5.021 5.393 . 0 0 "[ . 1 . 2]" 1
556 1 57 THR H 1 57 THR MG . . 3.340 2.572 2.528 2.596 . 0 0 "[ . 1 . 2]" 1
557 1 59 ASP HB2 1 62 GLN HE21 . . 4.600 3.424 2.970 3.981 . 0 0 "[ . 1 . 2]" 1
558 1 59 ASP HB3 1 62 GLN HE21 . . 4.600 3.609 3.183 4.475 . 0 0 "[ . 1 . 2]" 1
559 1 62 GLN HB2 1 62 GLN HE21 . . 4.660 3.481 2.699 3.743 . 0 0 "[ . 1 . 2]" 1
560 1 65 ASN QB 1 65 ASN HD22 . . 3.590 3.288 3.215 3.364 . 0 0 "[ . 1 . 2]" 1
561 1 107 ASP HB2 1 109 GLN HE21 . . 5.500 4.131 3.070 5.045 . 0 0 "[ . 1 . 2]" 1
562 1 107 ASP HB3 1 109 GLN HE21 . . 5.500 4.296 3.228 5.107 . 0 0 "[ . 1 . 2]" 1
563 1 107 ASP HB2 1 109 GLN HE22 . . 5.500 4.851 3.699 5.501 0.001 18 0 "[ . 1 . 2]" 1
564 1 107 ASP HB3 1 109 GLN HE22 . . 5.500 5.155 4.068 5.502 0.002 20 0 "[ . 1 . 2]" 1
565 1 88 THR MG 1 109 GLN HE22 . . 5.170 4.872 4.524 5.169 . 0 0 "[ . 1 . 2]" 1
566 1 111 ILE MD 1 113 GLN HE21 . . 5.500 4.263 3.188 5.244 . 0 0 "[ . 1 . 2]" 1
567 1 111 ILE MD 1 113 GLN HE22 . . 5.500 4.123 2.772 5.501 0.001 3 0 "[ . 1 . 2]" 1
568 1 82 ASN H 1 83 LEU H . . 3.300 2.638 2.610 2.662 . 0 0 "[ . 1 . 2]" 1
569 1 81 GLY H 1 82 ASN H . . 4.380 4.327 4.273 4.360 . 0 0 "[ . 1 . 2]" 1
570 1 34 THR HA 1 82 ASN H . . 4.430 4.236 4.078 4.322 . 0 0 "[ . 1 . 2]" 1
571 1 81 GLY HA2 1 82 ASN H . . 3.200 2.732 2.692 2.807 . 0 0 "[ . 1 . 2]" 1
572 1 33 THR HB 1 82 ASN H . . 3.650 2.925 2.835 3.022 . 0 0 "[ . 1 . 2]" 1
573 1 82 ASN H 1 82 ASN HA . . 2.810 2.274 2.273 2.276 . 0 0 "[ . 1 . 2]" 1
574 1 81 GLY HA3 1 82 ASN H . . 3.200 2.407 2.344 2.441 . 0 0 "[ . 1 . 2]" 1
575 1 82 ASN H 1 82 ASN HB2 . . 3.820 3.105 3.075 3.132 . 0 0 "[ . 1 . 2]" 1
576 1 82 ASN H 1 82 ASN HB3 . . 3.820 3.738 3.674 3.817 . 0 0 "[ . 1 . 2]" 1
577 1 82 ASN H 1 83 LEU HG . . 4.720 3.757 3.689 3.949 . 0 0 "[ . 1 . 2]" 1
578 1 34 THR MG 1 82 ASN H . . 4.110 4.097 4.011 4.114 0.004 12 0 "[ . 1 . 2]" 1
579 1 50 GLN HE21 1 98 SER QB . . 4.690 3.120 2.037 4.258 . 0 0 "[ . 1 . 2]" 1
580 1 48 GLN QB 1 50 GLN HE21 . . 4.640 3.045 2.254 4.496 . 0 0 "[ . 1 . 2]" 1
581 1 50 GLN HE22 1 98 SER QB . . 4.690 4.151 3.145 4.601 . 0 0 "[ . 1 . 2]" 1
582 1 50 GLN HE22 1 50 GLN HG2 . . 3.970 3.493 3.436 3.597 . 0 0 "[ . 1 . 2]" 1
583 1 48 GLN QB 1 50 GLN HE22 . . 4.640 3.336 2.587 4.629 . 0 0 "[ . 1 . 2]" 1
584 1 96 PHE QD 1 97 THR H . . 4.130 3.400 3.048 3.659 . 0 0 "[ . 1 . 2]" 1
585 1 96 PHE HA 1 97 THR H . . 3.070 2.261 2.214 2.362 . 0 0 "[ . 1 . 2]" 1
586 1 97 THR H 1 97 THR HG1 . . 4.370 3.137 2.047 3.774 . 0 0 "[ . 1 . 2]" 1
587 1 17 ALA HA 1 97 THR H . . 4.340 3.848 3.649 4.027 . 0 0 "[ . 1 . 2]" 1
588 1 18 PRO HD3 1 97 THR H . . 4.020 2.664 2.458 2.947 . 0 0 "[ . 1 . 2]" 1
589 1 18 PRO HD2 1 97 THR H . . 4.270 2.899 2.683 3.157 . 0 0 "[ . 1 . 2]" 1
590 1 96 PHE HB3 1 97 THR H . . 4.100 4.067 3.925 4.109 0.009 15 0 "[ . 1 . 2]" 1
591 1 96 PHE HB2 1 97 THR H . . 3.670 2.847 2.583 2.976 . 0 0 "[ . 1 . 2]" 1
592 1 18 PRO HG2 1 97 THR H . . 4.740 4.045 3.846 4.339 . 0 0 "[ . 1 . 2]" 1
593 1 18 PRO HG3 1 97 THR H . . 4.800 3.202 3.056 3.397 . 0 0 "[ . 1 . 2]" 1
594 1 59 ASP HA 1 61 THR H . . 4.030 3.124 3.112 3.142 . 0 0 "[ . 1 . 2]" 1
595 1 60 PRO HD2 1 61 THR H . . 4.350 2.840 2.834 2.852 . 0 0 "[ . 1 . 2]" 1
596 1 60 PRO HD3 1 61 THR H . . 4.350 3.944 3.940 3.951 . 0 0 "[ . 1 . 2]" 1
597 1 60 PRO HB2 1 61 THR H . . 4.220 3.797 3.789 3.810 . 0 0 "[ . 1 . 2]" 1
598 1 61 THR H 1 62 GLN HB2 . . 5.360 5.191 5.089 5.363 0.003 8 0 "[ . 1 . 2]" 1
599 1 61 THR H 1 61 THR MG . . 3.070 2.141 1.944 2.312 . 0 0 "[ . 1 . 2]" 1
600 1 57 THR MG 1 61 THR H . . 4.730 4.459 4.270 4.708 . 0 0 "[ . 1 . 2]" 1
601 1 40 LYS HA 1 76 GLN HE21 . . 4.410 2.495 2.277 2.695 . 0 0 "[ . 1 . 2]" 1
602 1 76 GLN QB 1 76 GLN HE21 . . 4.270 2.728 1.923 3.874 . 0 0 "[ . 1 . 2]" 1
603 1 41 GLU QG 1 76 GLN HE22 . . 4.710 3.596 2.419 4.568 . 0 0 "[ . 1 . 2]" 1
604 1 38 GLN HE21 1 77 ILE MD . . 4.700 2.992 2.411 3.842 . 0 0 "[ . 1 . 2]" 1
605 1 40 LYS HA 1 76 GLN HE22 . . 4.410 3.129 2.621 4.191 . 0 0 "[ . 1 . 2]" 1
606 1 41 GLU HB2 1 76 GLN HE22 . . 4.460 3.763 2.796 4.462 0.002 4 0 "[ . 1 . 2]" 1
607 1 101 ASP H 1 102 GLY H . . 4.750 4.504 4.451 4.542 . 0 0 "[ . 1 . 2]" 1
608 1 18 PRO HD2 1 102 GLY H . . 4.180 4.168 4.118 4.186 0.006 16 0 "[ . 1 . 2]" 1
609 1 101 ASP HB2 1 102 GLY H . . 4.240 2.462 2.165 2.646 . 0 0 "[ . 1 . 2]" 1
610 1 95 ALA MB 1 102 GLY H . . 4.790 4.565 4.443 4.685 . 0 0 "[ . 1 . 2]" 1
611 1 95 ALA H 1 102 GLY H . . 4.770 4.034 3.861 4.300 . 0 0 "[ . 1 . 2]" 1
612 1 96 PHE HA 1 102 GLY H . . 4.100 3.093 2.827 3.468 . 0 0 "[ . 1 . 2]" 1
613 1 101 ASP HA 1 102 GLY H . . 3.310 2.408 2.339 2.530 . 0 0 "[ . 1 . 2]" 1
614 1 96 PHE HB3 1 102 GLY H . . 4.370 3.107 2.786 3.390 . 0 0 "[ . 1 . 2]" 1
615 1 96 PHE HB2 1 102 GLY H . . 4.300 3.906 3.602 4.284 . 0 0 "[ . 1 . 2]" 1
616 1 101 ASP HB3 1 102 GLY H . . 4.440 3.555 3.403 3.664 . 0 0 "[ . 1 . 2]" 1
617 1 18 PRO HB2 1 102 GLY H . . 5.210 4.729 4.518 4.892 . 0 0 "[ . 1 . 2]" 1
618 1 94 LEU HG 1 102 GLY H . . 5.500 5.141 5.012 5.278 . 0 0 "[ . 1 . 2]" 1
619 1 17 ALA MB 1 102 GLY H . . 4.950 4.796 4.686 4.936 . 0 0 "[ . 1 . 2]" 1
620 1 94 LEU MD1 1 102 GLY H . . 4.720 2.266 2.173 2.354 . 0 0 "[ . 1 . 2]" 1
621 1 51 GLY H 1 96 PHE QE . . 4.500 4.002 3.700 4.212 . 0 0 "[ . 1 . 2]" 1
622 1 50 GLN HG2 1 51 GLY H . . 4.660 4.316 4.140 4.563 . 0 0 "[ . 1 . 2]" 1
623 1 50 GLN H 1 51 GLY H . . 2.970 2.176 1.900 2.465 . 0 0 "[ . 1 . 2]" 1
624 1 51 GLY H 1 52 TYR H . . 4.530 4.356 4.326 4.386 . 0 0 "[ . 1 . 2]" 1
625 1 51 GLY H 1 96 PHE H . . 4.300 4.047 3.888 4.156 . 0 0 "[ . 1 . 2]" 1
626 1 51 GLY H 1 97 THR HA . . 4.510 4.196 4.033 4.470 . 0 0 "[ . 1 . 2]" 1
627 1 49 ILE HB 1 51 GLY H . . 5.110 4.556 4.385 4.821 . 0 0 "[ . 1 . 2]" 1
628 1 50 GLN HB2 1 51 GLY H . . 3.860 2.983 2.956 3.011 . 0 0 "[ . 1 . 2]" 1
629 1 49 ILE MD 1 51 GLY H . . 4.480 4.146 4.071 4.335 . 0 0 "[ . 1 . 2]" 1
630 1 49 ILE MG 1 51 GLY H . . 3.020 2.093 1.950 2.412 . 0 0 "[ . 1 . 2]" 1
631 1 48 GLN H 1 49 ILE H . . 4.540 4.450 4.280 4.575 0.035 4 0 "[ . 1 . 2]" 1
632 1 48 GLN HG2 1 49 ILE H . . 4.320 3.917 3.137 4.339 0.019 4 0 "[ . 1 . 2]" 1
633 1 48 GLN QB 1 49 ILE H . . 3.780 3.550 2.977 3.784 0.004 18 0 "[ . 1 . 2]" 1
634 1 49 ILE H 1 49 ILE HB . . 3.120 2.543 2.504 2.628 . 0 0 "[ . 1 . 2]" 1
635 1 49 ILE H 1 49 ILE HG13 . . 3.830 3.602 3.489 3.803 . 0 0 "[ . 1 . 2]" 1
636 1 49 ILE H 1 49 ILE HG12 . . 3.750 2.148 1.951 2.442 . 0 0 "[ . 1 . 2]" 1
637 1 49 ILE H 1 49 ILE MG . . 3.880 3.769 3.763 3.790 . 0 0 "[ . 1 . 2]" 1
638 1 55 TYR H 1 92 LYS H . . 3.960 2.642 2.474 2.921 . 0 0 "[ . 1 . 2]" 1
639 1 55 TYR H 1 55 TYR QD . . 3.850 2.450 2.205 2.686 . 0 0 "[ . 1 . 2]" 1
640 1 55 TYR H 1 55 TYR HB2 . . 3.940 2.651 2.421 2.825 . 0 0 "[ . 1 . 2]" 1
641 1 72 VAL H 1 73 ALA H . . 4.660 4.359 4.312 4.523 . 0 0 "[ . 1 . 2]" 1
642 1 72 VAL HA 1 73 ALA H . . 2.820 2.269 2.226 2.569 . 0 0 "[ . 1 . 2]" 1
643 1 72 VAL HB 1 73 ALA H . . 4.010 3.666 2.025 3.957 . 0 0 "[ . 1 . 2]" 1
644 1 73 ALA H 1 73 ALA MB . . 2.900 2.501 2.353 2.647 . 0 0 "[ . 1 . 2]" 1
645 1 72 VAL MG2 1 73 ALA H . . 4.140 3.843 3.475 3.938 . 0 0 "[ . 1 . 2]" 1
646 1 23 ARG HB2 1 23 ARG HE . . 4.530 3.272 2.009 4.588 0.058 13 0 "[ . 1 . 2]" 1
647 1 23 ARG HB3 1 23 ARG HE . . 4.530 3.036 2.330 4.532 0.002 19 0 "[ . 1 . 2]" 1
648 1 88 THR H 1 89 TYR H . . 5.190 4.592 4.516 4.640 . 0 0 "[ . 1 . 2]" 1
649 1 89 TYR H 1 111 ILE H . . 5.500 4.933 4.680 5.154 . 0 0 "[ . 1 . 2]" 1
650 1 89 TYR H 1 89 TYR QD . . 4.020 3.842 3.553 4.025 0.005 18 0 "[ . 1 . 2]" 1
651 1 89 TYR H 1 109 GLN HA . . 4.000 4.493 4.275 4.741 0.741 15 11 "[ *-*. * *1* *+* **]" 1
652 1 89 TYR H 1 111 ILE HA . . 3.950 3.399 3.189 3.670 . 0 0 "[ . 1 . 2]" 1
653 1 89 TYR H 1 89 TYR HB2 . . 3.620 2.607 2.394 2.820 . 0 0 "[ . 1 . 2]" 1
654 1 89 TYR H 1 89 TYR HB3 . . 3.960 3.567 3.480 3.696 . 0 0 "[ . 1 . 2]" 1
655 1 89 TYR H 1 111 ILE HG12 . . 5.290 5.173 5.005 5.298 0.008 19 0 "[ . 1 . 2]" 1
656 1 89 TYR H 1 110 VAL MG1 . . 5.500 3.660 3.201 3.883 . 0 0 "[ . 1 . 2]" 1
657 1 89 TYR H 1 111 ILE MG . . 5.500 5.005 4.864 5.189 . 0 0 "[ . 1 . 2]" 1
658 1 89 TYR H 1 111 ILE MD . . 5.500 5.505 5.500 5.519 0.019 19 0 "[ . 1 . 2]" 1
659 1 53 ARG QB 1 53 ARG HE . . 4.520 3.296 2.367 4.101 . 0 0 "[ . 1 . 2]" 1
660 1 17 ALA H 1 100 GLY H . . 4.410 4.413 4.389 4.430 0.020 20 0 "[ . 1 . 2]" 1
661 1 97 THR H 1 100 GLY H . . 3.460 3.146 2.998 3.304 . 0 0 "[ . 1 . 2]" 1
662 1 99 ILE H 1 100 GLY H . . 2.990 2.790 2.678 2.890 . 0 0 "[ . 1 . 2]" 1
663 1 96 PHE HA 1 100 GLY H . . 5.190 4.961 4.791 5.191 0.001 9 0 "[ . 1 . 2]" 1
664 1 97 THR HG1 1 100 GLY H . . 3.860 2.923 2.105 3.518 . 0 0 "[ . 1 . 2]" 1
665 1 17 ALA HA 1 100 GLY H . . 3.980 2.873 2.709 3.092 . 0 0 "[ . 1 . 2]" 1
666 1 18 PRO HD3 1 100 GLY H . . 4.310 3.894 3.631 4.271 . 0 0 "[ . 1 . 2]" 1
667 1 96 PHE HB2 1 100 GLY H . . 5.010 5.012 4.956 5.038 0.028 15 0 "[ . 1 . 2]" 1
668 1 99 ILE HB 1 100 GLY H . . 3.310 2.133 1.988 2.308 . 0 0 "[ . 1 . 2]" 1
669 1 17 ALA MB 1 100 GLY H . . 3.520 2.209 1.921 2.529 . 0 0 "[ . 1 . 2]" 1
670 1 99 ILE MG 1 100 GLY H . . 3.640 3.104 2.881 3.304 . 0 0 "[ . 1 . 2]" 1
671 1 99 ILE MD 1 100 GLY H . . 4.570 4.513 4.439 4.572 0.002 7 0 "[ . 1 . 2]" 1
672 1 49 ILE MD 1 50 GLN H . . 4.360 3.530 3.365 3.653 . 0 0 "[ . 1 . 2]" 1
673 1 50 GLN H 1 50 GLN HG2 . . 4.080 2.491 2.046 2.823 . 0 0 "[ . 1 . 2]" 1
674 1 50 GLN H 1 50 GLN HB2 . . 3.890 2.543 2.375 2.617 . 0 0 "[ . 1 . 2]" 1
675 1 67 TRP H 1 67 TRP HE1 . . 4.850 4.575 4.507 4.629 . 0 0 "[ . 1 . 2]" 1
676 1 60 PRO HA 1 67 TRP HE1 . . 3.800 2.648 2.378 2.900 . 0 0 "[ . 1 . 2]" 1
677 1 62 GLN HB2 1 67 TRP HE1 . . 3.740 3.002 2.597 3.201 . 0 0 "[ . 1 . 2]" 1
678 1 61 THR MG 1 67 TRP HE1 . . 5.270 5.052 4.761 5.241 . 0 0 "[ . 1 . 2]" 1
679 1 64 VAL MG1 1 67 TRP HE1 . . 5.500 4.736 3.759 5.442 . 0 0 "[ . 1 . 2]" 1
680 1 57 THR MG 1 67 TRP HE1 . . 3.860 3.239 3.168 3.379 . 0 0 "[ . 1 . 2]" 1
681 1 70 HIS HA 1 71 ASN H . . 3.100 2.653 2.623 2.658 . 0 0 "[ . 1 . 2]" 1
682 1 71 ASN H 1 71 ASN HB3 . . 3.880 3.304 2.759 3.632 . 0 0 "[ . 1 . 2]" 1
683 1 9 VAL HA 1 10 LEU H . . 3.000 2.328 2.145 3.020 0.020 6 0 "[ . 1 . 2]" 1
684 1 37 VAL H 1 39 TRP HZ3 . . 5.500 4.755 4.302 5.097 . 0 0 "[ . 1 . 2]" 1
685 1 37 VAL H 1 79 THR HA . . 3.810 3.195 3.028 3.511 . 0 0 "[ . 1 . 2]" 1
686 1 36 LEU HA 1 37 VAL H . . 2.830 2.146 2.140 2.243 . 0 0 "[ . 1 . 2]" 1
687 1 37 VAL H 1 77 ILE HA . . 5.000 4.852 4.624 5.011 0.011 15 0 "[ . 1 . 2]" 1
688 1 37 VAL H 1 37 VAL HB . . 3.550 2.666 2.577 2.883 . 0 0 "[ . 1 . 2]" 1
689 1 36 LEU HG 1 37 VAL H . . 3.860 3.473 3.046 4.102 0.242 17 0 "[ . 1 . 2]" 1
690 1 37 VAL H 1 78 THR MG . . 3.500 3.070 2.760 3.358 . 0 0 "[ . 1 . 2]" 1
691 1 37 VAL H 1 37 VAL MG2 . . 3.950 2.571 2.441 2.831 . 0 0 "[ . 1 . 2]" 1
692 1 9 VAL HB 1 10 LEU H . . 4.440 3.704 2.010 4.482 0.042 6 0 "[ . 1 . 2]" 1
693 1 54 VAL H 1 54 VAL MG1 . . 4.090 3.866 3.841 3.878 . 0 0 "[ . 1 . 2]" 1
694 1 110 VAL H 1 111 ILE H . . 4.410 4.277 4.109 4.374 . 0 0 "[ . 1 . 2]" 1
695 1 110 VAL HA 1 111 ILE H . . 2.680 2.165 2.163 2.166 . 0 0 "[ . 1 . 2]" 1
696 1 111 ILE H 1 111 ILE HB . . 3.190 2.491 2.454 2.506 . 0 0 "[ . 1 . 2]" 1
697 1 111 ILE H 1 111 ILE HG13 . . 3.640 2.655 2.556 2.767 . 0 0 "[ . 1 . 2]" 1
698 1 111 ILE H 1 111 ILE HG12 . . 4.350 4.024 3.960 4.100 . 0 0 "[ . 1 . 2]" 1
699 1 110 VAL MG1 1 111 ILE H . . 4.360 3.964 3.886 4.012 . 0 0 "[ . 1 . 2]" 1
700 1 53 ARG HA 1 54 VAL H . . 3.180 2.173 2.156 2.189 . 0 0 "[ . 1 . 2]" 1
701 1 54 VAL H 1 54 VAL HB . . 3.980 2.670 2.610 2.704 . 0 0 "[ . 1 . 2]" 1
702 1 53 ARG QB 1 54 VAL H . . 4.450 3.227 2.999 3.722 . 0 0 "[ . 1 . 2]" 1
703 1 26 GLN H 1 27 ALA H . . 4.420 4.342 4.283 4.424 0.004 19 0 "[ . 1 . 2]" 1
704 1 25 VAL H 1 26 GLN H . . 4.470 4.345 4.120 4.539 0.069 16 0 "[ . 1 . 2]" 1
705 1 25 VAL HA 1 26 GLN H . . 2.900 2.188 2.142 2.252 . 0 0 "[ . 1 . 2]" 1
706 1 26 GLN H 1 39 TRP HB3 . . 4.530 4.163 3.892 4.596 0.066 15 0 "[ . 1 . 2]" 1
707 1 26 GLN H 1 26 GLN HB2 . . 4.020 3.201 2.636 4.003 . 0 0 "[ . 1 . 2]" 1
708 1 26 GLN H 1 26 GLN HB3 . . 4.020 3.698 3.205 3.914 . 0 0 "[ . 1 . 2]" 1
709 1 25 VAL MG1 1 26 GLN H . . 4.440 3.287 2.874 3.822 . 0 0 "[ . 1 . 2]" 1
710 1 62 GLN HB2 1 63 HIS H . . 4.710 3.096 2.799 3.334 . 0 0 "[ . 1 . 2]" 1
711 1 63 HIS H 1 63 HIS HB2 . . 3.840 2.384 2.135 2.680 . 0 0 "[ . 1 . 2]" 1
712 1 63 HIS H 1 63 HIS HB3 . . 3.840 2.753 2.389 3.030 . 0 0 "[ . 1 . 2]" 1
713 1 62 GLN HB3 1 63 HIS H . . 4.290 2.277 2.033 2.502 . 0 0 "[ . 1 . 2]" 1
714 1 64 VAL H 1 65 ASN H . . 2.700 2.715 2.590 2.915 0.215 15 0 "[ . 1 . 2]" 1
715 1 64 VAL H 1 67 TRP HE1 . . 4.640 4.493 4.172 4.648 0.008 6 0 "[ . 1 . 2]" 1
716 1 63 HIS HD2 1 64 VAL H . . 5.500 4.936 4.725 5.419 . 0 0 "[ . 1 . 2]" 1
717 1 64 VAL H 1 67 TRP HD1 . . 5.500 4.757 4.226 5.168 . 0 0 "[ . 1 . 2]" 1
718 1 63 HIS HA 1 64 VAL H . . 3.450 2.565 2.200 3.527 0.077 13 0 "[ . 1 . 2]" 1
719 1 63 HIS HB2 1 64 VAL H . . 4.430 4.025 3.455 4.326 . 0 0 "[ . 1 . 2]" 1
720 1 63 HIS HB3 1 64 VAL H . . 4.430 3.187 1.950 3.635 . 0 0 "[ . 1 . 2]" 1
721 1 64 VAL H 1 64 VAL MG1 . . 4.020 3.227 2.011 3.921 . 0 0 "[ . 1 . 2]" 1
722 1 46 ASN H 1 47 GLY H . . 3.590 2.609 2.606 2.618 . 0 0 "[ . 1 . 2]" 1
723 1 45 PRO HA 1 47 GLY H . . 4.470 4.177 4.039 4.329 . 0 0 "[ . 1 . 2]" 1
724 1 46 ASN QB 1 47 GLY H . . 4.380 3.763 3.716 3.811 . 0 0 "[ . 1 . 2]" 1
725 1 45 PRO QB 1 47 GLY H . . 3.350 2.241 2.168 2.340 . 0 0 "[ . 1 . 2]" 1
726 1 45 PRO QG 1 47 GLY H . . 3.660 3.201 3.167 3.230 . 0 0 "[ . 1 . 2]" 1
727 1 47 GLY H 1 97 THR MG . . 4.210 4.018 3.868 4.217 0.007 20 0 "[ . 1 . 2]" 1
728 1 47 GLY H 1 49 ILE MD . . 4.770 4.422 4.267 4.643 . 0 0 "[ . 1 . 2]" 1
729 1 56 TYR QD 1 70 HIS H . . 4.610 4.228 3.899 4.635 0.025 8 0 "[ . 1 . 2]" 1
730 1 56 TYR QE 1 70 HIS H . . 4.190 3.983 3.558 4.179 . 0 0 "[ . 1 . 2]" 1
731 1 55 TYR HA 1 70 HIS H . . 4.540 3.726 3.525 4.266 . 0 0 "[ . 1 . 2]" 1
732 1 70 HIS H 1 70 HIS HB2 . . 3.830 2.743 2.463 2.869 . 0 0 "[ . 1 . 2]" 1
733 1 70 HIS H 1 70 HIS HB3 . . 3.830 3.158 3.100 3.290 . 0 0 "[ . 1 . 2]" 1
734 1 54 VAL HB 1 70 HIS H . . 4.700 3.438 3.037 3.829 . 0 0 "[ . 1 . 2]" 1
735 1 69 LYS HB2 1 70 HIS H . . 4.160 3.582 3.428 3.912 . 0 0 "[ . 1 . 2]" 1
736 1 69 LYS HB3 1 70 HIS H . . 4.160 2.651 2.496 3.083 . 0 0 "[ . 1 . 2]" 1
737 1 69 LYS HG2 1 70 HIS H . . 4.830 4.431 4.276 4.597 . 0 0 "[ . 1 . 2]" 1
738 1 27 ALA HA 1 36 LEU H . . 4.790 4.158 3.873 4.745 . 0 0 "[ . 1 . 2]" 1
739 1 30 LEU MD1 1 36 LEU H . . 5.140 4.304 4.031 4.505 . 0 0 "[ . 1 . 2]" 1
740 1 35 ILE HA 1 36 LEU H . . 3.120 2.503 2.309 2.637 . 0 0 "[ . 1 . 2]" 1
741 1 29 MET HA 1 36 LEU H . . 3.990 3.761 2.836 3.985 . 0 0 "[ . 1 . 2]" 1
742 1 36 LEU H 1 36 LEU HB3 . . 3.720 2.787 2.492 2.966 . 0 0 "[ . 1 . 2]" 1
743 1 35 ILE HB 1 36 LEU H . . 3.340 2.199 1.949 2.620 . 0 0 "[ . 1 . 2]" 1
744 1 36 LEU H 1 36 LEU HB2 . . 3.720 3.291 2.909 3.584 . 0 0 "[ . 1 . 2]" 1
745 1 33 THR H 1 34 THR HB . . 4.760 4.502 4.316 4.618 . 0 0 "[ . 1 . 2]" 1
746 1 33 THR H 1 112 THR MG . . 5.500 5.507 5.498 5.513 0.013 20 0 "[ . 1 . 2]" 1
747 1 32 SER H 1 33 THR H . . 4.490 2.377 2.269 2.708 . 0 0 "[ . 1 . 2]" 1
748 1 31 SER H 1 33 THR H . . 4.460 4.388 4.151 4.464 0.004 8 0 "[ . 1 . 2]" 1
749 1 33 THR H 1 34 THR H . . 2.910 2.242 2.043 2.353 . 0 0 "[ . 1 . 2]" 1
750 1 33 THR H 1 34 THR HA . . 4.600 4.575 4.500 4.651 0.051 12 0 "[ . 1 . 2]" 1
751 1 31 SER HA 1 33 THR H . . 4.630 4.322 4.089 4.398 . 0 0 "[ . 1 . 2]" 1
752 1 32 SER QB 1 33 THR H . . 4.000 3.453 2.923 3.825 . 0 0 "[ . 1 . 2]" 1
753 1 29 MET ME 1 33 THR H . . 4.430 3.519 3.213 3.994 . 0 0 "[ . 1 . 2]" 1
754 1 67 TRP HZ3 1 92 LYS H . . 4.990 4.267 3.543 4.872 . 0 0 "[ . 1 . 2]" 1
755 1 56 TYR HA 1 92 LYS H . . 4.460 4.340 4.239 4.462 0.002 6 0 "[ . 1 . 2]" 1
756 1 91 VAL HA 1 92 LYS H . . 3.020 2.179 2.142 2.263 . 0 0 "[ . 1 . 2]" 1
757 1 56 TYR HB3 1 92 LYS H . . 4.970 4.105 3.962 4.475 . 0 0 "[ . 1 . 2]" 1
758 1 55 TYR HB2 1 92 LYS H . . 4.530 3.415 3.126 3.880 . 0 0 "[ . 1 . 2]" 1
759 1 91 VAL HB 1 92 LYS H . . 4.560 4.053 3.766 4.183 . 0 0 "[ . 1 . 2]" 1
760 1 92 LYS H 1 92 LYS HG2 . . 4.510 4.013 3.759 4.353 . 0 0 "[ . 1 . 2]" 1
761 1 92 LYS H 1 92 LYS HG3 . . 4.510 3.070 2.867 3.626 . 0 0 "[ . 1 . 2]" 1
762 1 92 LYS H 1 92 LYS HB2 . . 4.040 2.879 2.677 2.977 . 0 0 "[ . 1 . 2]" 1
763 1 91 VAL MG2 1 92 LYS H . . 4.330 3.990 3.891 4.116 . 0 0 "[ . 1 . 2]" 1
764 1 30 LEU H 1 36 LEU H . . 5.030 4.833 4.389 5.031 0.001 9 0 "[ . 1 . 2]" 1
765 1 29 MET HG2 1 30 LEU H . . 4.860 4.322 3.504 5.025 0.165 19 0 "[ . 1 . 2]" 1
766 1 29 MET ME 1 30 LEU H . . 4.640 4.276 3.798 4.398 . 0 0 "[ . 1 . 2]" 1
767 1 30 LEU H 1 30 LEU HG . . 4.260 2.585 2.437 3.337 . 0 0 "[ . 1 . 2]" 1
768 1 30 LEU H 1 34 THR MG . . 5.500 5.153 4.827 5.505 0.005 5 0 "[ . 1 . 2]" 1
769 1 30 LEU H 1 30 LEU MD1 . . 4.220 3.852 3.516 4.168 . 0 0 "[ . 1 . 2]" 1
770 1 30 LEU H 1 35 ILE MG . . 4.200 4.048 3.035 4.205 0.005 8 0 "[ . 1 . 2]" 1
771 1 38 GLN H 1 39 TRP H . . 4.540 4.353 4.238 4.441 . 0 0 "[ . 1 . 2]" 1
772 1 57 THR HB 1 68 MET H . . 3.620 2.079 1.937 2.491 . 0 0 "[ . 1 . 2]" 1
773 1 112 THR H 1 112 THR HB . . 3.780 3.583 3.543 3.643 . 0 0 "[ . 1 . 2]" 1
774 1 89 TYR QD 1 112 THR H . . 4.800 4.166 3.745 4.665 . 0 0 "[ . 1 . 2]" 1
775 1 16 GLN HA 1 99 ILE H . . 5.500 5.442 5.285 5.511 0.011 16 0 "[ . 1 . 2]" 1
776 1 53 ARG HE 1 94 LEU MD1 . . 5.500 4.653 2.908 5.491 . 0 0 "[ . 1 . 2]" 1
777 1 53 ARG HE 1 94 LEU MD2 . . 5.500 4.313 2.457 5.007 . 0 0 "[ . 1 . 2]" 1
778 1 39 TRP H 1 78 THR H . . 5.500 5.422 5.161 5.510 0.010 4 0 "[ . 1 . 2]" 1
779 1 52 TYR QD 1 75 SER H . . 4.130 3.209 2.983 3.609 . 0 0 "[ . 1 . 2]" 1
780 1 74 ASP H 1 75 SER H . . 3.500 2.931 2.693 3.018 . 0 0 "[ . 1 . 2]" 1
781 1 53 ARG H 1 94 LEU H . . 3.480 2.928 2.722 3.161 . 0 0 "[ . 1 . 2]" 1
782 1 29 MET ME 1 86 GLN H . . 5.140 4.453 4.000 4.838 . 0 0 "[ . 1 . 2]" 1
783 1 29 MET ME 1 31 SER H . . 3.840 3.815 3.440 3.875 0.035 17 0 "[ . 1 . 2]" 1
784 1 29 MET ME 1 113 GLN H . . 3.800 2.384 2.204 2.977 . 0 0 "[ . 1 . 2]" 1
785 1 29 MET ME 1 113 GLN HA . . 4.020 3.484 3.303 4.045 0.025 12 0 "[ . 1 . 2]" 1
786 1 29 MET ME 1 112 THR HA . . 3.080 1.960 1.900 2.115 . 0 0 "[ . 1 . 2]" 1
787 1 29 MET ME 1 32 SER HA . . 3.530 2.708 2.544 3.103 . 0 0 "[ . 1 . 2]" 1
788 1 29 MET ME 1 111 ILE MG . . 5.500 4.793 4.675 4.983 . 0 0 "[ . 1 . 2]" 1
789 1 35 ILE MG 1 36 LEU H . . 3.830 3.634 3.545 3.793 . 0 0 "[ . 1 . 2]" 1
790 1 35 ILE H 1 35 ILE MG . . 3.410 2.756 2.658 3.068 . 0 0 "[ . 1 . 2]" 1
791 1 35 ILE HA 1 35 ILE MG . . 3.370 2.398 2.288 2.420 . 0 0 "[ . 1 . 2]" 1
792 1 29 MET HA 1 35 ILE MG . . 3.270 3.050 2.518 3.272 0.002 8 0 "[ . 1 . 2]" 1
793 1 29 MET ME 1 35 ILE MG . . 4.080 2.885 2.247 3.055 . 0 0 "[ . 1 . 2]" 1
794 1 35 ILE MG 1 112 THR MG . . 3.100 2.793 2.373 2.948 . 0 0 "[ . 1 . 2]" 1
795 1 35 ILE MG 1 83 LEU MD1 . . 4.530 2.318 1.867 2.487 . 0 0 "[ . 1 . 2]" 1
796 1 35 ILE H 1 80 ILE MG . . 4.470 4.308 4.103 4.475 0.005 12 0 "[ . 1 . 2]" 1
797 1 80 ILE H 1 80 ILE MG . . 4.180 3.824 3.804 3.866 . 0 0 "[ . 1 . 2]" 1
798 1 56 TYR QD 1 80 ILE MG . . 4.290 3.155 2.642 3.356 . 0 0 "[ . 1 . 2]" 1
799 1 56 TYR QE 1 80 ILE MG . . 3.510 2.450 2.244 2.535 . 0 0 "[ . 1 . 2]" 1
800 1 80 ILE HA 1 80 ILE MG . . 3.150 2.395 2.385 2.400 . 0 0 "[ . 1 . 2]" 1
801 1 56 TYR HB3 1 80 ILE MG . . 4.910 4.849 4.633 4.919 0.009 4 0 "[ . 1 . 2]" 1
802 1 80 ILE MG 1 83 LEU HG . . 3.540 3.041 2.902 3.153 . 0 0 "[ . 1 . 2]" 1
803 1 80 ILE HG12 1 80 ILE MG . . 3.330 2.321 2.267 2.351 . 0 0 "[ . 1 . 2]" 1
804 1 35 ILE MG 1 80 ILE MG . . 4.670 4.428 4.250 4.664 . 0 0 "[ . 1 . 2]" 1
805 1 80 ILE HG13 1 80 ILE MG . . 3.330 3.197 3.181 3.202 . 0 0 "[ . 1 . 2]" 1
806 1 77 ILE MG 1 78 THR HA . . 4.390 3.714 3.661 3.777 . 0 0 "[ . 1 . 2]" 1
807 1 38 GLN HB3 1 77 ILE MG . . 5.120 4.711 4.229 4.966 . 0 0 "[ . 1 . 2]" 1
808 1 57 THR MG 1 67 TRP HD1 . . 4.450 2.955 2.853 3.019 . 0 0 "[ . 1 . 2]" 1
809 1 57 THR MG 1 60 PRO HB3 . . 4.050 3.305 3.081 3.557 . 0 0 "[ . 1 . 2]" 1
810 1 57 THR MG 1 67 TRP HZ2 . . 4.340 3.831 3.714 3.968 . 0 0 "[ . 1 . 2]" 1
811 1 57 THR MG 1 67 TRP HA . . 4.770 2.818 2.557 3.110 . 0 0 "[ . 1 . 2]" 1
812 1 92 LYS HA 1 108 ILE MD . . 4.480 4.291 3.914 4.480 . 0 0 "[ . 1 . 2]" 1
813 1 26 GLN H 1 108 ILE MD . . 4.320 4.204 3.746 4.329 0.009 17 0 "[ . 1 . 2]" 1
814 1 26 GLN HA 1 108 ILE MD . . 3.280 2.789 2.038 3.130 . 0 0 "[ . 1 . 2]" 1
815 1 108 ILE HB 1 108 ILE MD . . 3.230 2.310 2.187 2.458 . 0 0 "[ . 1 . 2]" 1
816 1 91 VAL HB 1 108 ILE MD . . 3.570 2.450 2.024 2.802 . 0 0 "[ . 1 . 2]" 1
817 1 77 ILE MD 1 78 THR H . . 4.430 4.146 3.950 4.244 . 0 0 "[ . 1 . 2]" 1
818 1 77 ILE HA 1 77 ILE MD . . 4.090 3.710 3.628 3.788 . 0 0 "[ . 1 . 2]" 1
819 1 38 GLN QG 1 77 ILE MD . . 4.730 4.122 3.517 4.707 . 0 0 "[ . 1 . 2]" 1
820 1 38 GLN HB2 1 77 ILE MD . . 4.210 3.473 2.796 4.009 . 0 0 "[ . 1 . 2]" 1
821 1 38 GLN HB3 1 77 ILE MD . . 3.860 2.623 2.031 3.203 . 0 0 "[ . 1 . 2]" 1
822 1 111 ILE H 1 111 ILE MD . . 3.880 2.949 2.826 3.106 . 0 0 "[ . 1 . 2]" 1
823 1 111 ILE HA 1 111 ILE MD . . 4.130 3.804 3.781 3.833 . 0 0 "[ . 1 . 2]" 1
824 1 88 THR HA 1 111 ILE MD . . 4.660 4.524 4.464 4.579 . 0 0 "[ . 1 . 2]" 1
825 1 111 ILE MD 1 113 GLN QG . . 4.960 4.429 3.887 4.706 . 0 0 "[ . 1 . 2]" 1
826 1 56 TYR QD 1 80 ILE MD . . 2.700 2.610 2.502 2.734 0.034 10 0 "[ . 1 . 2]" 1
827 1 56 TYR QE 1 80 ILE MD . . 3.510 2.700 2.555 2.944 . 0 0 "[ . 1 . 2]" 1
828 1 80 ILE HA 1 80 ILE MD . . 4.050 3.862 3.847 3.884 . 0 0 "[ . 1 . 2]" 1
829 1 56 TYR HB3 1 80 ILE MD . . 3.620 3.140 2.866 3.330 . 0 0 "[ . 1 . 2]" 1
830 1 54 VAL HB 1 80 ILE MD . . 4.390 3.893 3.445 4.233 . 0 0 "[ . 1 . 2]" 1
831 1 78 THR MG 1 80 ILE MD . . 3.260 3.149 2.923 3.260 0.000 5 0 "[ . 1 . 2]" 1
832 1 80 ILE HB 1 80 ILE MD . . 3.200 2.397 2.352 2.448 . 0 0 "[ . 1 . 2]" 1
833 1 30 LEU MD1 1 36 LEU HB3 . . 5.270 3.063 2.741 3.468 . 0 0 "[ . 1 . 2]" 1
834 1 35 ILE MD 1 36 LEU H . . 4.310 3.925 3.624 4.312 0.002 4 0 "[ . 1 . 2]" 1
835 1 35 ILE HA 1 35 ILE MD . . 4.360 4.156 4.142 4.166 . 0 0 "[ . 1 . 2]" 1
836 1 35 ILE MD 1 56 TYR HB2 . . 4.330 4.124 3.610 4.316 . 0 0 "[ . 1 . 2]" 1
837 1 35 ILE HB 1 35 ILE MD . . 3.270 2.333 2.232 2.432 . 0 0 "[ . 1 . 2]" 1
838 1 35 ILE MD 1 80 ILE HB . . 3.370 2.338 2.084 2.658 . 0 0 "[ . 1 . 2]" 1
839 1 35 ILE MD 1 35 ILE MG . . 2.830 2.060 1.929 2.281 . 0 0 "[ . 1 . 2]" 1
840 1 51 GLY HA2 1 96 PHE HZ . . 4.740 4.610 4.269 4.742 0.002 2 0 "[ . 1 . 2]" 1
841 1 51 GLY HA2 1 96 PHE QE . . 4.720 4.518 4.393 4.669 . 0 0 "[ . 1 . 2]" 1
842 1 51 GLY HA3 1 73 ALA HA . . 4.010 3.472 3.010 3.916 . 0 0 "[ . 1 . 2]" 1
843 1 49 ILE MG 1 51 GLY HA3 . . 4.970 4.131 3.995 4.394 . 0 0 "[ . 1 . 2]" 1
844 1 18 PRO HD2 1 102 GLY HA3 . . 4.550 4.176 4.012 4.547 . 0 0 "[ . 1 . 2]" 1
845 1 18 PRO HD2 1 102 GLY HA2 . . 4.430 4.112 3.940 4.383 . 0 0 "[ . 1 . 2]" 1
846 1 18 PRO HB2 1 102 GLY HA2 . . 4.410 4.084 3.894 4.186 . 0 0 "[ . 1 . 2]" 1
847 1 18 PRO HB3 1 102 GLY HA3 . . 4.750 4.427 4.306 4.548 . 0 0 "[ . 1 . 2]" 1
848 1 117 GLY QA 1 118 PRO QD . . 2.980 2.037 1.993 2.212 . 0 0 "[ . 1 . 2]" 1
849 1 92 LYS QE 1 104 LEU HB2 . . 4.500 3.363 3.072 3.621 . 0 0 "[ . 1 . 2]" 1
850 1 92 LYS HB3 1 104 LEU HB3 . . 4.670 3.159 2.801 3.458 . 0 0 "[ . 1 . 2]" 1
851 1 15 GLU HG3 1 47 GLY HA2 . . 4.820 3.371 2.883 3.587 . 0 0 "[ . 1 . 2]" 1
852 1 15 GLU HB3 1 47 GLY HA2 . . 4.870 2.618 2.155 3.028 . 0 0 "[ . 1 . 2]" 1
853 1 47 GLY HA2 1 97 THR MG . . 4.420 4.406 4.212 4.426 0.006 4 0 "[ . 1 . 2]" 1
854 1 15 GLU HG3 1 47 GLY HA3 . . 4.820 4.562 4.088 4.798 . 0 0 "[ . 1 . 2]" 1
855 1 47 GLY HA3 1 97 THR MG . . 4.420 3.114 2.901 3.204 . 0 0 "[ . 1 . 2]" 1
856 1 49 ILE H 1 49 ILE MD . . 4.120 3.318 3.104 3.570 . 0 0 "[ . 1 . 2]" 1
857 1 42 PRO QD 1 49 ILE MD . . 3.840 3.202 3.000 3.452 . 0 0 "[ . 1 . 2]" 1
858 1 49 ILE HA 1 49 ILE MD . . 3.350 2.043 1.969 2.081 . 0 0 "[ . 1 . 2]" 1
859 1 45 PRO QB 1 49 ILE MD . . 3.390 2.768 2.561 2.946 . 0 0 "[ . 1 . 2]" 1
860 1 18 PRO HG2 1 49 ILE MD . . 4.750 4.747 4.725 4.755 0.005 4 0 "[ . 1 . 2]" 1
861 1 45 PRO QG 1 49 ILE MD . . 5.430 4.489 4.220 4.671 . 0 0 "[ . 1 . 2]" 1
862 1 42 PRO HG2 1 49 ILE MD . . 3.880 3.244 3.005 3.637 . 0 0 "[ . 1 . 2]" 1
863 1 42 PRO HG3 1 49 ILE MD . . 3.880 2.617 2.365 2.921 . 0 0 "[ . 1 . 2]" 1
864 1 49 ILE MD 1 95 ALA MB . . 2.990 2.523 2.300 2.799 . 0 0 "[ . 1 . 2]" 1
865 1 49 ILE MD 1 97 THR MG . . 3.220 1.880 1.764 2.184 . 0 0 "[ . 1 . 2]" 1
866 1 49 ILE MD 1 49 ILE MG . . 3.010 2.053 1.926 2.103 . 0 0 "[ . 1 . 2]" 1
867 1 34 THR HA 1 81 GLY HA3 . . 3.770 3.223 3.074 3.520 . 0 0 "[ . 1 . 2]" 1
868 1 28 ARG HB2 1 28 ARG QD . . 3.680 2.590 2.090 3.462 . 0 0 "[ . 1 . 2]" 1
869 1 28 ARG HB3 1 28 ARG QD . . 3.680 2.552 2.124 2.984 . 0 0 "[ . 1 . 2]" 1
870 1 58 MET ME 1 87 LYS HE3 . . 4.320 3.691 3.040 4.051 . 0 0 "[ . 1 . 2]" 1
871 1 87 LYS HB3 1 87 LYS HE3 . . 3.830 3.310 3.079 3.769 . 0 0 "[ . 1 . 2]" 1
872 1 87 LYS HE3 1 87 LYS HG2 . . 4.200 3.468 3.198 3.671 . 0 0 "[ . 1 . 2]" 1
873 1 87 LYS HE3 1 87 LYS HG3 . . 3.690 2.238 2.043 2.480 . 0 0 "[ . 1 . 2]" 1
874 1 84 VAL MG1 1 87 LYS HE3 . . 4.370 3.279 2.834 4.359 . 0 0 "[ . 1 . 2]" 1
875 1 87 LYS HE2 1 87 LYS HG2 . . 3.970 3.196 2.817 3.419 . 0 0 "[ . 1 . 2]" 1
876 1 55 TYR QD 1 69 LYS HE2 . . 4.560 3.465 1.998 4.412 . 0 0 "[ . 1 . 2]" 1
877 1 69 LYS HE2 1 69 LYS HG2 . . 3.940 2.388 2.082 3.942 0.002 2 0 "[ . 1 . 2]" 1
878 1 55 TYR QD 1 69 LYS HE3 . . 4.560 3.821 3.315 4.561 0.001 19 0 "[ . 1 . 2]" 1
879 1 55 TYR QE 1 69 LYS HE3 . . 4.090 2.662 1.999 4.090 0.000 2 0 "[ . 1 . 2]" 1
880 1 69 LYS HE3 1 69 LYS HG2 . . 3.940 2.951 2.540 3.201 . 0 0 "[ . 1 . 2]" 1
881 1 101 ASP H 1 101 ASP HB2 . . 3.890 3.640 3.593 3.697 . 0 0 "[ . 1 . 2]" 1
882 1 94 LEU MD1 1 101 ASP HB2 . . 4.230 2.869 2.667 3.043 . 0 0 "[ . 1 . 2]" 1
883 1 94 LEU MD1 1 101 ASP HB3 . . 4.650 3.554 3.429 3.659 . 0 0 "[ . 1 . 2]" 1
884 1 28 ARG H 1 35 ILE HB . . 4.620 4.471 4.185 4.622 0.002 18 0 "[ . 1 . 2]" 1
885 1 35 ILE HB 1 110 VAL MG1 . . 4.770 3.964 3.763 4.212 . 0 0 "[ . 1 . 2]" 1
886 1 77 ILE HB 1 78 THR H . . 4.230 4.161 4.059 4.191 . 0 0 "[ . 1 . 2]" 1
887 1 38 GLN HA 1 77 ILE HB . . 4.610 3.426 3.229 3.573 . 0 0 "[ . 1 . 2]" 1
888 1 38 GLN QG 1 77 ILE HB . . 5.410 5.289 4.824 5.417 0.007 18 0 "[ . 1 . 2]" 1
889 1 38 GLN HB2 1 77 ILE HB . . 4.480 3.656 3.009 3.906 . 0 0 "[ . 1 . 2]" 1
890 1 38 GLN HB3 1 77 ILE HB . . 4.440 3.556 3.008 3.807 . 0 0 "[ . 1 . 2]" 1
891 1 77 ILE HB 1 77 ILE MD . . 3.670 2.312 2.185 2.452 . 0 0 "[ . 1 . 2]" 1
892 1 16 GLN HA 1 99 ILE MD . . 4.350 3.064 2.877 3.319 . 0 0 "[ . 1 . 2]" 1
893 1 99 ILE HA 1 99 ILE MD . . 2.860 2.044 1.957 2.177 . 0 0 "[ . 1 . 2]" 1
894 1 15 GLU HB3 1 99 ILE MD . . 4.510 3.862 3.340 4.219 . 0 0 "[ . 1 . 2]" 1
895 1 15 GLU HB2 1 99 ILE MD . . 4.080 3.250 2.782 3.620 . 0 0 "[ . 1 . 2]" 1
896 1 92 LYS QE 1 104 LEU HA . . 5.500 4.991 4.715 5.508 0.008 3 0 "[ . 1 . 2]" 1
897 1 92 LYS HB3 1 92 LYS QE . . 3.780 2.398 1.974 3.451 . 0 0 "[ . 1 . 2]" 1
898 1 92 LYS QE 1 104 LEU HB3 . . 3.910 2.702 2.411 3.376 . 0 0 "[ . 1 . 2]" 1
899 1 92 LYS QE 1 104 LEU MD1 . . 3.940 2.730 2.057 3.041 . 0 0 "[ . 1 . 2]" 1
900 1 92 LYS QE 1 104 LEU MD2 . . 3.940 2.488 2.216 3.113 . 0 0 "[ . 1 . 2]" 1
901 1 107 ASP HB2 1 108 ILE H . . 4.480 4.042 3.392 4.429 . 0 0 "[ . 1 . 2]" 1
902 1 33 THR HA 1 83 LEU HB3 . . 5.070 4.940 4.486 5.051 . 0 0 "[ . 1 . 2]" 1
903 1 83 LEU HB2 1 84 VAL H . . 4.450 2.847 2.670 3.196 . 0 0 "[ . 1 . 2]" 1
904 1 71 ASN H 1 71 ASN HB2 . . 3.880 2.948 2.418 3.888 0.008 12 0 "[ . 1 . 2]" 1
905 1 71 ASN HB3 1 72 VAL H . . 4.530 3.413 2.723 4.291 . 0 0 "[ . 1 . 2]" 1
906 1 30 LEU H 1 34 THR HB . . 4.600 4.039 3.684 4.420 . 0 0 "[ . 1 . 2]" 1
907 1 111 ILE HB 1 113 GLN QG . . 4.560 3.398 2.888 3.741 . 0 0 "[ . 1 . 2]" 1
908 1 88 THR HA 1 111 ILE HB . . 5.140 5.084 5.021 5.147 0.007 12 0 "[ . 1 . 2]" 1
909 1 110 VAL HA 1 111 ILE HB . . 4.700 4.621 4.572 4.645 . 0 0 "[ . 1 . 2]" 1
910 1 55 TYR HB3 1 67 TRP HE3 . . 4.080 2.031 1.984 2.312 . 0 0 "[ . 1 . 2]" 1
911 1 55 TYR HB2 1 67 TRP HE3 . . 4.320 3.110 2.607 3.395 . 0 0 "[ . 1 . 2]" 1
912 1 62 GLN HB3 1 66 ASN HB2 . . 4.210 3.223 2.200 3.929 . 0 0 "[ . 1 . 2]" 1
913 1 62 GLN HB2 1 66 ASN HB3 . . 4.880 3.040 2.647 3.609 . 0 0 "[ . 1 . 2]" 1
914 1 66 ASN H 1 66 ASN HB3 . . 3.520 3.113 2.591 3.493 . 0 0 "[ . 1 . 2]" 1
915 1 62 GLN HB3 1 66 ASN HB3 . . 4.210 2.833 2.000 3.618 . 0 0 "[ . 1 . 2]" 1
916 1 35 ILE MG 1 80 ILE HB . . 4.200 4.171 4.090 4.210 0.010 19 0 "[ . 1 . 2]" 1
917 1 24 ASP HB2 1 40 LYS HB3 . . 5.240 3.983 3.605 4.277 . 0 0 "[ . 1 . 2]" 1
918 1 24 ASP HB2 1 40 LYS HB2 . . 4.180 2.469 2.177 2.708 . 0 0 "[ . 1 . 2]" 1
919 1 24 ASP HB2 1 40 LYS HG2 . . 4.890 4.311 2.344 4.826 . 0 0 "[ . 1 . 2]" 1
920 1 24 ASP HB3 1 40 LYS HB2 . . 4.180 2.861 2.365 3.555 . 0 0 "[ . 1 . 2]" 1
921 1 24 ASP HB3 1 40 LYS HG2 . . 4.890 4.106 2.047 4.734 . 0 0 "[ . 1 . 2]" 1
922 1 24 ASP HB3 1 40 LYS HB3 . . 5.240 4.423 3.841 5.100 . 0 0 "[ . 1 . 2]" 1
923 1 33 THR HB 1 82 ASN HA . . 3.970 3.376 3.215 3.481 . 0 0 "[ . 1 . 2]" 1
924 1 79 THR HB 1 80 ILE H . . 3.640 3.409 3.104 3.568 . 0 0 "[ . 1 . 2]" 1
925 1 79 THR H 1 79 THR HB . . 3.770 3.692 3.580 3.794 0.024 17 0 "[ . 1 . 2]" 1
926 1 55 TYR HB2 1 92 LYS HB2 . . 4.560 2.035 1.995 2.311 . 0 0 "[ . 1 . 2]" 1
927 1 114 THR HB 1 115 GLY H . . 4.990 3.765 2.858 4.654 . 0 0 "[ . 1 . 2]" 1
928 1 13 THR HB 1 14 SER H . . 4.490 3.222 1.954 4.405 . 0 0 "[ . 1 . 2]" 1
929 1 65 ASN H 1 65 ASN QB . . 3.630 2.144 2.045 2.335 . 0 0 "[ . 1 . 2]" 1
930 1 64 VAL MG2 1 65 ASN QB . . 5.500 4.341 2.981 5.269 . 0 0 "[ . 1 . 2]" 1
931 1 55 TYR QD 1 64 VAL HB . . 4.850 4.106 2.540 4.900 0.050 8 0 "[ . 1 . 2]" 1
932 1 55 TYR QD 1 67 TRP HB2 . . 4.030 2.856 2.128 3.288 . 0 0 "[ . 1 . 2]" 1
933 1 39 TRP HH2 1 78 THR HB . . 4.000 3.163 2.729 3.672 . 0 0 "[ . 1 . 2]" 1
934 1 15 GLU HA 1 15 GLU HG2 . . 3.860 3.530 3.216 3.646 . 0 0 "[ . 1 . 2]" 1
935 1 15 GLU HG2 1 47 GLY HA2 . . 4.820 2.571 2.158 3.344 . 0 0 "[ . 1 . 2]" 1
936 1 15 GLU HG2 1 47 GLY HA3 . . 4.820 3.812 3.272 4.618 . 0 0 "[ . 1 . 2]" 1
937 1 15 GLU HA 1 15 GLU HG3 . . 3.860 2.358 2.188 2.499 . 0 0 "[ . 1 . 2]" 1
938 1 97 THR HG1 1 99 ILE HB . . 4.140 2.649 2.230 2.866 . 0 0 "[ . 1 . 2]" 1
939 1 17 ALA MB 1 99 ILE HB . . 3.810 2.697 2.443 2.997 . 0 0 "[ . 1 . 2]" 1
940 1 56 TYR QD 1 89 TYR QD . . 4.070 3.302 2.845 3.569 . 0 0 "[ . 1 . 2]" 1
941 1 43 GLU H 1 43 GLU QG . . 3.860 2.855 1.914 3.858 . 0 0 "[ . 1 . 2]" 1
942 1 43 GLU HA 1 43 GLU QG . . 3.430 2.745 2.020 3.338 . 0 0 "[ . 1 . 2]" 1
943 1 95 ALA HA 1 96 PHE QD . . 4.910 3.612 3.542 3.682 . 0 0 "[ . 1 . 2]" 1
944 1 96 PHE QD 1 97 THR HA . . 5.310 3.556 3.443 3.620 . 0 0 "[ . 1 . 2]" 1
945 1 50 GLN HB2 1 96 PHE QD . . 4.050 3.769 3.179 4.040 . 0 0 "[ . 1 . 2]" 1
946 1 87 LYS HB2 1 88 THR H . . 4.530 4.320 4.267 4.380 . 0 0 "[ . 1 . 2]" 1
947 1 27 ALA MB 1 91 VAL HB . . 4.100 3.661 3.042 3.988 . 0 0 "[ . 1 . 2]" 1
948 1 87 LYS HB2 1 89 TYR QE . . 4.050 3.109 2.598 3.680 . 0 0 "[ . 1 . 2]" 1
949 1 87 LYS HB3 1 87 LYS HD3 . . 4.170 3.592 3.405 3.656 . 0 0 "[ . 1 . 2]" 1
950 1 84 VAL MG1 1 87 LYS HB3 . . 5.460 3.143 2.752 4.842 . 0 0 "[ . 1 . 2]" 1
951 1 84 VAL MG2 1 87 LYS HB3 . . 5.460 4.227 3.717 4.459 . 0 0 "[ . 1 . 2]" 1
952 1 52 TYR H 1 72 VAL HB . . 4.170 2.475 1.947 4.177 0.007 4 0 "[ . 1 . 2]" 1
953 1 86 GLN HA 1 86 GLN HG3 . . 3.470 3.162 2.310 3.450 . 0 0 "[ . 1 . 2]" 1
954 1 44 GLU HA 1 44 GLU HG2 . . 4.030 2.702 2.089 3.613 . 0 0 "[ . 1 . 2]" 1
955 1 44 GLU HA 1 44 GLU HG3 . . 4.030 3.029 2.104 3.779 . 0 0 "[ . 1 . 2]" 1
956 1 110 VAL HB 1 111 ILE H . . 4.180 4.142 4.117 4.182 0.002 16 0 "[ . 1 . 2]" 1
957 1 39 TRP HE1 1 76 GLN HG3 . . 4.320 3.407 3.158 3.658 . 0 0 "[ . 1 . 2]" 1
958 1 76 GLN H 1 76 GLN HG2 . . 4.410 4.326 4.207 4.413 0.003 5 0 "[ . 1 . 2]" 1
959 1 76 GLN HA 1 76 GLN HG2 . . 3.560 2.552 2.403 2.768 . 0 0 "[ . 1 . 2]" 1
960 1 37 VAL HB 1 39 TRP HH2 . . 5.260 4.621 4.109 5.268 0.008 20 0 "[ . 1 . 2]" 1
961 1 37 VAL HB 1 39 TRP HZ3 . . 3.660 2.564 2.122 3.113 . 0 0 "[ . 1 . 2]" 1
962 1 109 GLN QG 1 110 VAL H . . 4.780 4.164 3.651 4.730 . 0 0 "[ . 1 . 2]" 1
963 1 109 GLN HA 1 109 GLN QG . . 3.430 2.634 2.252 2.987 . 0 0 "[ . 1 . 2]" 1
964 1 90 SER HA 1 109 GLN QG . . 4.110 3.154 2.123 4.095 . 0 0 "[ . 1 . 2]" 1
965 1 108 ILE HA 1 109 GLN QG . . 4.500 3.646 3.242 4.278 . 0 0 "[ . 1 . 2]" 1
966 1 88 THR MG 1 109 GLN QG . . 3.510 3.167 2.537 3.520 0.010 5 0 "[ . 1 . 2]" 1
967 1 53 ARG QB 1 96 PHE QE . . 4.470 3.960 3.244 4.385 . 0 0 "[ . 1 . 2]" 1
968 1 56 TYR QE 1 70 HIS HB2 . . 4.300 2.037 1.996 2.690 . 0 0 "[ . 1 . 2]" 1
969 1 62 GLN HA 1 62 GLN HG2 . . 3.890 2.620 2.573 2.734 . 0 0 "[ . 1 . 2]" 1
970 1 16 GLN HA 1 16 GLN QG . . 3.300 2.595 2.232 3.373 0.073 16 0 "[ . 1 . 2]" 1
971 1 16 GLN QG 1 46 ASN QB . . 4.610 3.815 1.859 4.658 0.048 20 0 "[ . 1 . 2]" 1
972 1 16 GLN QG 1 99 ILE MG . . 4.620 3.186 2.472 4.622 0.002 18 0 "[ . 1 . 2]" 1
973 1 36 LEU HG 1 38 GLN QG . . 5.500 4.528 3.069 5.503 0.003 4 0 "[ . 1 . 2]" 1
974 1 38 GLN QG 1 77 ILE HG13 . . 4.680 4.316 3.951 4.682 0.002 19 0 "[ . 1 . 2]" 1
975 1 33 THR MG 1 85 PRO HB3 . . 4.400 3.504 3.087 3.837 . 0 0 "[ . 1 . 2]" 1
976 1 36 LEU MD1 1 38 GLN HB3 . . 5.350 3.638 2.382 4.721 . 0 0 "[ . 1 . 2]" 1
977 1 67 TRP HH2 1 90 SER HB2 . . 4.400 3.337 2.153 4.327 . 0 0 "[ . 1 . 2]" 1
978 1 60 PRO HB2 1 90 SER HB2 . . 5.500 4.561 3.598 5.404 . 0 0 "[ . 1 . 2]" 1
979 1 60 PRO HB3 1 90 SER HB2 . . 4.330 3.092 2.019 4.122 . 0 0 "[ . 1 . 2]" 1
980 1 20 SER HB2 1 21 ALA H . . 4.460 4.161 3.266 4.467 0.007 3 0 "[ . 1 . 2]" 1
981 1 20 SER HB2 1 44 GLU HB3 . . 5.000 3.713 2.297 4.985 . 0 0 "[ . 1 . 2]" 1
982 1 67 TRP HH2 1 90 SER HB3 . . 4.400 2.888 1.998 3.796 . 0 0 "[ . 1 . 2]" 1
983 1 67 TRP HZ3 1 90 SER HB3 . . 4.760 3.099 2.169 3.963 . 0 0 "[ . 1 . 2]" 1
984 1 60 PRO HB3 1 90 SER HB3 . . 4.330 3.446 2.665 4.330 . 0 0 "[ . 1 . 2]" 1
985 1 85 PRO HB3 1 86 GLN H . . 4.080 3.669 3.547 3.990 . 0 0 "[ . 1 . 2]" 1
986 1 26 GLN H 1 26 GLN QG . . 3.820 2.961 2.209 3.833 0.013 14 0 "[ . 1 . 2]" 1
987 1 26 GLN HB2 1 26 GLN QG . . 2.620 2.295 2.129 2.404 . 0 0 "[ . 1 . 2]" 1
988 1 26 GLN HB3 1 26 GLN QG . . 2.620 2.382 2.278 2.525 . 0 0 "[ . 1 . 2]" 1
989 1 26 GLN QG 1 27 ALA H . . 4.010 3.897 3.479 4.011 0.001 3 0 "[ . 1 . 2]" 1
990 1 57 THR HA 1 68 MET QG . . 5.500 4.794 4.483 5.101 . 0 0 "[ . 1 . 2]" 1
991 1 68 MET HA 1 68 MET QG . . 3.190 2.132 2.003 2.265 . 0 0 "[ . 1 . 2]" 1
992 1 56 TYR QE 1 68 MET QG . . 4.610 4.379 3.982 4.619 0.009 18 0 "[ . 1 . 2]" 1
993 1 48 GLN HA 1 48 GLN HG3 . . 3.920 2.365 2.034 3.922 0.002 4 0 "[ . 1 . 2]" 1
994 1 48 GLN HG3 1 49 ILE H . . 4.320 4.028 2.741 4.321 0.001 14 0 "[ . 1 . 2]" 1
995 1 111 ILE MG 1 113 GLN QG . . 3.540 3.144 1.937 3.540 . 0 0 "[ . 1 . 2]" 1
996 1 105 SER H 1 105 SER HB2 . . 4.170 3.603 3.495 3.684 . 0 0 "[ . 1 . 2]" 1
997 1 18 PRO HA 1 45 PRO HA . . 3.930 3.251 3.019 3.351 . 0 0 "[ . 1 . 2]" 1
998 1 18 PRO HB3 1 45 PRO HA . . 3.640 2.930 2.601 3.210 . 0 0 "[ . 1 . 2]" 1
999 1 45 PRO HA 1 49 ILE MD . . 4.020 3.032 2.798 3.274 . 0 0 "[ . 1 . 2]" 1
1000 1 50 GLN HG3 1 98 SER H . . 4.330 3.278 2.790 3.715 . 0 0 "[ . 1 . 2]" 1
1001 1 50 GLN H 1 50 GLN HG3 . . 4.010 3.796 3.508 4.012 0.002 14 0 "[ . 1 . 2]" 1
1002 1 50 GLN HG3 1 97 THR HA . . 3.880 3.761 3.517 3.879 . 0 0 "[ . 1 . 2]" 1
1003 1 50 GLN HA 1 50 GLN HG3 . . 4.030 3.789 3.732 3.844 . 0 0 "[ . 1 . 2]" 1
1004 1 50 GLN HG3 1 51 GLY H . . 5.500 5.121 5.018 5.225 . 0 0 "[ . 1 . 2]" 1
1005 1 50 GLN HG3 1 96 PHE QD . . 5.500 4.846 4.099 5.376 . 0 0 "[ . 1 . 2]" 1
1006 1 50 GLN HG2 1 98 SER H . . 4.370 2.866 2.549 3.370 . 0 0 "[ . 1 . 2]" 1
1007 1 50 GLN HG2 1 96 PHE QD . . 5.500 5.088 4.286 5.453 . 0 0 "[ . 1 . 2]" 1
1008 1 50 GLN HG2 1 97 THR HA . . 4.010 2.851 2.364 3.298 . 0 0 "[ . 1 . 2]" 1
1009 1 50 GLN HG2 1 98 SER HA . . 4.480 4.276 3.636 4.481 0.001 3 0 "[ . 1 . 2]" 1
1010 1 39 TRP HH2 1 54 VAL HB . . 5.500 4.978 4.336 5.500 0.000 16 0 "[ . 1 . 2]" 1
1011 1 54 VAL HB 1 70 HIS HD2 . . 5.500 4.371 3.711 5.503 0.003 11 0 "[ . 1 . 2]" 1
1012 1 75 SER H 1 75 SER HB2 . . 4.000 2.439 2.285 2.616 . 0 0 "[ . 1 . 2]" 1
1013 1 75 SER HB2 1 77 ILE MG . . 4.480 3.868 3.587 4.100 . 0 0 "[ . 1 . 2]" 1
1014 1 84 VAL HB 1 89 TYR QE . . 4.550 4.294 3.028 4.563 0.013 8 0 "[ . 1 . 2]" 1
1015 1 84 VAL HB 1 87 LYS HB2 . . 4.980 4.286 1.995 4.993 0.013 19 0 "[ . 1 . 2]" 1
1016 1 64 VAL HA 1 67 TRP HE1 . . 3.780 3.586 3.304 3.814 0.034 8 0 "[ . 1 . 2]" 1
1017 1 64 VAL HA 1 64 VAL MG1 . . 3.440 2.296 2.115 2.411 . 0 0 "[ . 1 . 2]" 1
1018 1 103 PRO HB3 1 104 LEU H . . 4.100 3.791 3.583 4.055 . 0 0 "[ . 1 . 2]" 1
1019 1 18 PRO HB2 1 102 GLY HA3 . . 3.950 2.941 2.797 3.079 . 0 0 "[ . 1 . 2]" 1
1020 1 45 PRO QB 1 49 ILE HG13 . . 4.820 3.604 3.265 3.828 . 0 0 "[ . 1 . 2]" 1
1021 1 45 PRO QB 1 49 ILE HG12 . . 4.420 3.113 2.874 3.325 . 0 0 "[ . 1 . 2]" 1
1022 1 42 PRO QD 1 45 PRO QB . . 5.060 3.779 3.641 4.040 . 0 0 "[ . 1 . 2]" 1
1023 1 109 GLN H 1 109 GLN HB2 . . 3.950 2.697 2.556 2.834 . 0 0 "[ . 1 . 2]" 1
1024 1 88 THR MG 1 109 GLN HB2 . . 3.920 3.765 3.388 3.925 0.005 5 0 "[ . 1 . 2]" 1
1025 1 88 THR MG 1 109 GLN HB3 . . 3.920 2.522 2.130 2.677 . 0 0 "[ . 1 . 2]" 1
1026 1 18 PRO HA 1 46 ASN HD21 . . 3.740 2.733 2.419 3.159 . 0 0 "[ . 1 . 2]" 1
1027 1 18 PRO HA 1 20 SER H . . 4.370 3.812 3.590 3.983 . 0 0 "[ . 1 . 2]" 1
1028 1 18 PRO HA 1 46 ASN HD22 . . 4.160 3.726 3.481 4.161 0.001 15 0 "[ . 1 . 2]" 1
1029 1 18 PRO HA 1 46 ASN QB . . 3.790 3.491 3.140 3.738 . 0 0 "[ . 1 . 2]" 1
1030 1 25 VAL HA 1 26 GLN QG . . 4.690 4.016 3.416 4.560 . 0 0 "[ . 1 . 2]" 1
1031 1 17 ALA MB 1 18 PRO HA . . 5.260 4.360 4.357 4.367 . 0 0 "[ . 1 . 2]" 1
1032 1 18 PRO HA 1 97 THR MG . . 5.500 4.062 3.852 4.278 . 0 0 "[ . 1 . 2]" 1
1033 1 22 PRO HA 1 41 GLU HA . . 5.370 4.708 4.548 4.910 . 0 0 "[ . 1 . 2]" 1
1034 1 22 PRO HA 1 94 LEU HA . . 5.500 5.488 5.333 5.513 0.013 15 0 "[ . 1 . 2]" 1
1035 1 22 PRO HA 1 23 ARG HG2 . . 4.810 4.265 3.833 4.826 0.016 13 0 "[ . 1 . 2]" 1
1036 1 22 PRO HA 1 23 ARG HG3 . . 4.810 3.624 3.318 4.201 . 0 0 "[ . 1 . 2]" 1
1037 1 14 SER H 1 14 SER QB . . 3.760 3.009 2.423 3.440 . 0 0 "[ . 1 . 2]" 1
1038 1 116 SER QB 1 117 GLY H . . 4.320 2.989 1.986 4.022 . 0 0 "[ . 1 . 2]" 1
1039 1 60 PRO HB2 1 67 TRP HZ2 . . 4.210 2.870 2.628 3.281 . 0 0 "[ . 1 . 2]" 1
1040 1 57 THR MG 1 60 PRO HB2 . . 4.750 4.402 4.191 4.676 . 0 0 "[ . 1 . 2]" 1
1041 1 25 VAL HA 1 39 TRP HB3 . . 3.900 2.612 2.234 3.499 . 0 0 "[ . 1 . 2]" 1
1042 1 25 VAL HA 1 39 TRP HB2 . . 4.170 3.504 3.235 4.133 . 0 0 "[ . 1 . 2]" 1
1043 1 32 SER QB 1 85 PRO HB3 . . 3.550 3.047 2.633 3.241 . 0 0 "[ . 1 . 2]" 1
1044 1 32 SER QB 1 85 PRO HG2 . . 5.240 5.251 5.241 5.275 0.035 6 0 "[ . 1 . 2]" 1
1045 1 29 MET ME 1 32 SER QB . . 4.390 4.105 4.017 4.408 0.018 12 0 "[ . 1 . 2]" 1
1046 1 32 SER QB 1 85 PRO HG3 . . 4.620 3.868 3.748 4.243 . 0 0 "[ . 1 . 2]" 1
1047 1 32 SER QB 1 33 THR MG . . 3.930 3.078 2.875 3.364 . 0 0 "[ . 1 . 2]" 1
1048 1 29 MET HG2 1 112 THR MG . . 4.530 3.922 3.353 4.154 . 0 0 "[ . 1 . 2]" 1
1049 1 29 MET H 1 29 MET HG2 . . 4.320 3.421 2.574 3.725 . 0 0 "[ . 1 . 2]" 1
1050 1 29 MET HG3 1 30 LEU H . . 4.860 4.754 4.100 4.870 0.010 20 0 "[ . 1 . 2]" 1
1051 1 29 MET HG3 1 31 SER H . . 5.500 5.282 4.792 5.526 0.026 12 0 "[ . 1 . 2]" 1
1052 1 29 MET HG3 1 112 THR MG . . 4.530 3.935 3.615 4.722 0.192 19 0 "[ . 1 . 2]" 1
1053 1 29 MET HG3 1 35 ILE MG . . 4.660 3.587 3.325 4.545 . 0 0 "[ . 1 . 2]" 1
1054 1 22 PRO HB3 1 39 TRP HB2 . . 4.430 3.897 3.143 4.262 . 0 0 "[ . 1 . 2]" 1
1055 1 29 MET H 1 29 MET HB2 . . 3.820 2.193 2.079 3.615 . 0 0 "[ . 1 . 2]" 1
1056 1 29 MET HB2 1 30 LEU H . . 4.760 4.260 2.559 4.409 . 0 0 "[ . 1 . 2]" 1
1057 1 15 GLU HB3 1 99 ILE HG12 . . 4.580 4.029 3.190 4.461 . 0 0 "[ . 1 . 2]" 1
1058 1 15 GLU HB3 1 99 ILE HG13 . . 4.410 3.696 3.127 4.109 . 0 0 "[ . 1 . 2]" 1
1059 1 29 MET HB3 1 30 LEU H . . 4.760 3.317 3.155 3.823 . 0 0 "[ . 1 . 2]" 1
1060 1 15 GLU HB2 1 99 ILE HG12 . . 4.360 4.310 4.054 4.364 0.004 8 0 "[ . 1 . 2]" 1
1061 1 15 GLU HB2 1 99 ILE HG13 . . 4.380 3.980 3.843 4.085 . 0 0 "[ . 1 . 2]" 1
1062 1 58 MET H 1 58 MET QG . . 4.050 2.073 1.940 2.366 . 0 0 "[ . 1 . 2]" 1
1063 1 58 MET QG 1 89 TYR QE . . 4.350 3.849 3.257 4.352 0.002 8 0 "[ . 1 . 2]" 1
1064 1 58 MET HA 1 58 MET QG . . 3.870 3.336 3.328 3.357 . 0 0 "[ . 1 . 2]" 1
1065 1 19 SER HB2 1 46 ASN HD22 . . 4.350 3.723 2.470 4.352 0.002 12 0 "[ . 1 . 2]" 1
1066 1 19 SER HB3 1 46 ASN HD21 . . 4.870 3.777 2.927 4.464 . 0 0 "[ . 1 . 2]" 1
1067 1 19 SER HB3 1 46 ASN HD22 . . 4.350 3.167 2.387 4.116 . 0 0 "[ . 1 . 2]" 1
1068 1 61 THR HA 1 61 THR MG . . 3.280 3.200 3.190 3.207 . 0 0 "[ . 1 . 2]" 1
1069 1 60 PRO HA 1 67 TRP HZ2 . . 3.370 2.547 2.303 2.893 . 0 0 "[ . 1 . 2]" 1
1070 1 60 PRO HA 1 67 TRP HD1 . . 5.290 4.414 4.257 4.705 . 0 0 "[ . 1 . 2]" 1
1071 1 60 PRO HA 1 67 TRP HH2 . . 5.480 4.195 4.004 4.462 . 0 0 "[ . 1 . 2]" 1
1072 1 57 THR MG 1 60 PRO HA . . 3.200 2.500 2.298 2.731 . 0 0 "[ . 1 . 2]" 1
1073 1 56 TYR QE 1 68 MET HB3 . . 4.510 3.674 3.424 3.993 . 0 0 "[ . 1 . 2]" 1
1074 1 106 SER HB2 1 107 ASP H . . 4.460 3.916 3.445 4.440 . 0 0 "[ . 1 . 2]" 1
1075 1 106 SER H 1 106 SER HB2 . . 3.520 3.018 2.111 3.511 . 0 0 "[ . 1 . 2]" 1
1076 1 106 SER HB3 1 107 ASP H . . 4.460 3.855 3.392 4.420 . 0 0 "[ . 1 . 2]" 1
1077 1 106 SER H 1 106 SER HB3 . . 3.520 3.102 2.346 3.462 . 0 0 "[ . 1 . 2]" 1
1078 1 62 GLN HB3 1 67 TRP HD1 . . 4.470 3.981 3.305 4.302 . 0 0 "[ . 1 . 2]" 1
1079 1 62 GLN HB2 1 67 TRP HD1 . . 4.230 2.606 2.039 2.887 . 0 0 "[ . 1 . 2]" 1
1080 1 25 VAL HB 1 108 ILE MD . . 4.720 3.818 3.455 4.727 0.007 20 0 "[ . 1 . 2]" 1
1081 1 111 ILE MG 1 113 GLN HB3 . . 3.970 2.530 2.411 2.888 . 0 0 "[ . 1 . 2]" 1
1082 1 98 SER H 1 98 SER QB . . 3.870 2.180 2.049 2.518 . 0 0 "[ . 1 . 2]" 1
1083 1 98 SER QB 1 99 ILE H . . 4.590 3.125 2.875 3.585 . 0 0 "[ . 1 . 2]" 1
1084 1 64 VAL H 1 64 VAL HB . . 3.600 3.097 2.592 3.613 0.013 4 0 "[ . 1 . 2]" 1
1085 1 88 THR HA 1 89 TYR H . . 2.980 2.193 2.144 2.278 . 0 0 "[ . 1 . 2]" 1
1086 1 88 THR HA 1 89 TYR HB2 . . 4.670 4.114 4.006 4.202 . 0 0 "[ . 1 . 2]" 1
1087 1 88 THR HA 1 111 ILE HG12 . . 4.140 3.415 3.195 3.533 . 0 0 "[ . 1 . 2]" 1
1088 1 25 VAL MG1 1 39 TRP HB3 . . 4.020 2.933 2.502 3.422 . 0 0 "[ . 1 . 2]" 1
1089 1 25 VAL MG1 1 39 TRP HB2 . . 4.360 3.853 3.629 4.062 . 0 0 "[ . 1 . 2]" 1
1090 1 43 GLU HB2 1 44 GLU H . . 4.510 3.704 3.181 4.477 . 0 0 "[ . 1 . 2]" 1
1091 1 43 GLU HB3 1 44 GLU H . . 4.510 3.782 3.165 4.494 . 0 0 "[ . 1 . 2]" 1
1092 1 64 VAL HA 1 67 TRP HD1 . . 3.920 3.461 3.136 3.722 . 0 0 "[ . 1 . 2]" 1
1093 1 67 TRP HH2 1 92 LYS HD2 . . 4.040 2.880 2.487 3.115 . 0 0 "[ . 1 . 2]" 1
1094 1 67 TRP HZ3 1 92 LYS HD2 . . 4.490 2.985 2.196 3.408 . 0 0 "[ . 1 . 2]" 1
1095 1 92 LYS HB3 1 92 LYS HD2 . . 4.210 3.732 3.535 3.876 . 0 0 "[ . 1 . 2]" 1
1096 1 92 LYS HB2 1 92 LYS HD2 . . 3.950 3.568 3.380 3.705 . 0 0 "[ . 1 . 2]" 1
1097 1 92 LYS HD2 1 104 LEU MD1 . . 4.870 4.766 4.033 4.874 0.004 14 0 "[ . 1 . 2]" 1
1098 1 92 LYS HD2 1 104 LEU MD2 . . 4.870 4.421 3.994 4.783 . 0 0 "[ . 1 . 2]" 1
1099 1 64 VAL MG1 1 92 LYS HD2 . . 5.500 3.746 2.790 4.534 . 0 0 "[ . 1 . 2]" 1
1100 1 67 TRP HH2 1 92 LYS HD3 . . 4.440 4.235 3.775 4.448 0.008 3 0 "[ . 1 . 2]" 1
1101 1 92 LYS HB3 1 92 LYS HD3 . . 4.050 2.772 2.243 3.048 . 0 0 "[ . 1 . 2]" 1
1102 1 92 LYS HB2 1 92 LYS HD3 . . 3.810 2.394 2.139 2.676 . 0 0 "[ . 1 . 2]" 1
1103 1 92 LYS HD3 1 104 LEU MD2 . . 4.400 3.052 2.447 3.357 . 0 0 "[ . 1 . 2]" 1
1104 1 42 PRO HA 1 43 GLU H . . 3.260 2.440 2.392 2.446 . 0 0 "[ . 1 . 2]" 1
1105 1 23 ARG H 1 42 PRO HA . . 4.500 4.028 3.840 4.313 . 0 0 "[ . 1 . 2]" 1
1106 1 103 PRO HA 1 104 LEU H . . 2.800 2.216 2.151 2.311 . 0 0 "[ . 1 . 2]" 1
1107 1 103 PRO HA 1 104 LEU HB2 . . 4.720 4.553 4.293 4.727 0.007 3 0 "[ . 1 . 2]" 1
1108 1 13 THR HA 1 13 THR MG . . 3.480 2.297 2.002 3.204 . 0 0 "[ . 1 . 2]" 1
1109 1 11 THR HA 1 11 THR MG . . 3.640 2.355 1.986 3.192 . 0 0 "[ . 1 . 2]" 1
1110 1 50 GLN H 1 50 GLN HB3 . . 4.200 3.665 3.606 3.748 . 0 0 "[ . 1 . 2]" 1
1111 1 50 GLN HB3 1 96 PHE QE . . 4.150 3.815 2.984 4.151 0.001 20 0 "[ . 1 . 2]" 1
1112 1 50 GLN HB3 1 51 GLY H . . 4.170 3.984 3.845 4.057 . 0 0 "[ . 1 . 2]" 1
1113 1 50 GLN HB3 1 97 THR HA . . 5.050 4.946 4.675 5.054 0.004 4 0 "[ . 1 . 2]" 1
1114 1 50 GLN HB2 1 96 PHE QE . . 4.140 2.809 2.156 3.278 . 0 0 "[ . 1 . 2]" 1
1115 1 50 GLN HB2 1 97 THR HA . . 4.680 3.435 3.068 3.743 . 0 0 "[ . 1 . 2]" 1
1116 1 54 VAL HA 1 55 TYR QD . . 4.530 3.140 2.926 3.436 . 0 0 "[ . 1 . 2]" 1
1117 1 54 VAL HA 1 55 TYR H . . 3.210 2.199 2.142 2.263 . 0 0 "[ . 1 . 2]" 1
1118 1 50 GLN HG3 1 98 SER HA . . 4.290 3.359 2.827 3.740 . 0 0 "[ . 1 . 2]" 1
1119 1 32 SER HA 1 33 THR HA . . 4.570 4.497 4.454 4.513 . 0 0 "[ . 1 . 2]" 1
1120 1 32 SER HA 1 85 PRO HB3 . . 4.530 4.017 3.881 4.175 . 0 0 "[ . 1 . 2]" 1
1121 1 32 SER HA 1 112 THR MG . . 5.450 5.314 4.934 5.447 . 0 0 "[ . 1 . 2]" 1
1122 1 49 ILE HA 1 50 GLN H . . 3.160 2.158 2.140 2.198 . 0 0 "[ . 1 . 2]" 1
1123 1 49 ILE HA 1 51 GLY H . . 3.980 3.658 3.504 3.779 . 0 0 "[ . 1 . 2]" 1
1124 1 49 ILE HA 1 97 THR HA . . 3.870 3.101 2.766 3.427 . 0 0 "[ . 1 . 2]" 1
1125 1 49 ILE HA 1 49 ILE HG12 . . 4.080 3.042 3.015 3.126 . 0 0 "[ . 1 . 2]" 1
1126 1 40 LYS HB3 1 40 LYS HD2 . . 3.930 3.309 2.456 3.821 . 0 0 "[ . 1 . 2]" 1
1127 1 40 LYS HB3 1 40 LYS HD3 . . 3.930 2.545 2.016 3.675 . 0 0 "[ . 1 . 2]" 1
1128 1 57 THR H 1 91 VAL HA . . 4.910 4.858 4.676 4.917 0.007 8 0 "[ . 1 . 2]" 1
1129 1 67 TRP HZ3 1 91 VAL HA . . 4.820 4.012 3.414 4.708 . 0 0 "[ . 1 . 2]" 1
1130 1 56 TYR HA 1 91 VAL HA . . 3.690 3.068 2.961 3.183 . 0 0 "[ . 1 . 2]" 1
1131 1 56 TYR HB3 1 91 VAL HA . . 4.420 3.052 2.844 3.546 . 0 0 "[ . 1 . 2]" 1
1132 1 56 TYR HB2 1 91 VAL HA . . 4.650 3.850 3.692 4.227 . 0 0 "[ . 1 . 2]" 1
1133 1 77 ILE HG12 1 78 THR HA . . 4.530 3.669 3.556 3.810 . 0 0 "[ . 1 . 2]" 1
1134 1 72 VAL HA 1 72 VAL MG2 . . 3.460 2.495 2.310 3.175 . 0 0 "[ . 1 . 2]" 1
1135 1 21 ALA MB 1 22 PRO HG2 . . 4.680 3.726 3.587 3.791 . 0 0 "[ . 1 . 2]" 1
1136 1 41 GLU H 1 41 GLU HB3 . . 3.600 3.428 3.350 3.508 . 0 0 "[ . 1 . 2]" 1
1137 1 80 ILE HA 1 81 GLY HA3 . . 4.930 4.323 4.317 4.339 . 0 0 "[ . 1 . 2]" 1
1138 1 80 ILE HA 1 80 ILE HG12 . . 3.860 2.610 2.568 2.699 . 0 0 "[ . 1 . 2]" 1
1139 1 80 ILE HA 1 80 ILE HG13 . . 3.860 2.939 2.825 3.049 . 0 0 "[ . 1 . 2]" 1
1140 1 55 TYR H 1 93 VAL HA . . 4.050 3.887 3.452 4.057 0.007 20 0 "[ . 1 . 2]" 1
1141 1 55 TYR QD 1 93 VAL HA . . 4.660 3.824 3.616 4.019 . 0 0 "[ . 1 . 2]" 1
1142 1 54 VAL HA 1 93 VAL HA . . 3.410 2.666 2.470 2.795 . 0 0 "[ . 1 . 2]" 1
1143 1 92 LYS HB3 1 93 VAL HA . . 5.150 4.567 4.233 4.837 . 0 0 "[ . 1 . 2]" 1
1144 1 93 VAL HA 1 94 LEU HG . . 5.500 4.467 4.424 4.564 . 0 0 "[ . 1 . 2]" 1
1145 1 54 VAL MG2 1 93 VAL HA . . 4.680 3.243 3.044 3.491 . 0 0 "[ . 1 . 2]" 1
1146 1 67 TRP HH2 1 92 LYS QE . . 4.930 4.798 4.398 4.943 0.013 8 0 "[ . 1 . 2]" 1
1147 1 34 THR HA 1 81 GLY HA2 . . 3.770 2.315 2.139 2.379 . 0 0 "[ . 1 . 2]" 1
1148 1 37 VAL HA 1 38 GLN HA . . 4.740 4.394 4.392 4.401 . 0 0 "[ . 1 . 2]" 1
1149 1 55 TYR QD 1 67 TRP HB3 . . 4.610 4.071 3.316 4.464 . 0 0 "[ . 1 . 2]" 1
1150 1 28 ARG H 1 37 VAL HA . . 4.090 3.972 3.455 4.094 0.004 4 0 "[ . 1 . 2]" 1
1151 1 84 VAL HA 1 85 PRO HD3 . . 2.990 2.259 2.256 2.263 . 0 0 "[ . 1 . 2]" 1
1152 1 84 VAL HA 1 85 PRO HG2 . . 4.300 4.279 4.264 4.302 0.002 17 0 "[ . 1 . 2]" 1
1153 1 67 TRP HB2 1 68 MET H . . 4.370 3.450 3.174 3.640 . 0 0 "[ . 1 . 2]" 1
1154 1 57 THR HA 1 59 ASP H . . 4.310 3.928 3.756 4.136 . 0 0 "[ . 1 . 2]" 1
1155 1 57 THR HA 1 89 TYR QE . . 4.310 2.847 2.125 3.237 . 0 0 "[ . 1 . 2]" 1
1156 1 57 THR HA 1 58 MET QG . . 4.260 4.006 3.805 4.261 0.001 10 0 "[ . 1 . 2]" 1
1157 1 53 ARG HA 1 53 ARG HG3 . . 4.250 2.569 2.204 2.811 . 0 0 "[ . 1 . 2]" 1
1158 1 39 TRP HA 1 39 TRP HD1 . . 5.070 4.445 4.321 4.597 . 0 0 "[ . 1 . 2]" 1
1159 1 33 THR HA 1 83 LEU H . . 3.890 3.538 3.329 3.705 . 0 0 "[ . 1 . 2]" 1
1160 1 33 THR HA 1 83 LEU HB2 . . 3.450 3.199 2.811 3.316 . 0 0 "[ . 1 . 2]" 1
1161 1 22 PRO HB3 1 39 TRP HD1 . . 4.310 3.312 2.795 3.894 . 0 0 "[ . 1 . 2]" 1
1162 1 110 VAL HA 1 111 ILE HG13 . . 4.470 3.888 3.815 3.983 . 0 0 "[ . 1 . 2]" 1
1163 1 99 ILE HA 1 99 ILE HG12 . . 4.000 3.108 3.037 3.220 . 0 0 "[ . 1 . 2]" 1
1164 1 99 ILE HA 1 99 ILE HG13 . . 4.090 3.737 3.705 3.793 . 0 0 "[ . 1 . 2]" 1
1165 1 87 LYS HA 1 87 LYS HD2 . . 3.410 2.130 2.000 2.524 . 0 0 "[ . 1 . 2]" 1
1166 1 87 LYS HB3 1 87 LYS HD2 . . 3.670 2.401 2.319 2.436 . 0 0 "[ . 1 . 2]" 1
1167 1 87 LYS HA 1 87 LYS HD3 . . 3.650 2.699 2.315 2.889 . 0 0 "[ . 1 . 2]" 1
1168 1 36 LEU HA 1 79 THR HA . . 3.360 2.324 2.218 2.598 . 0 0 "[ . 1 . 2]" 1
1169 1 78 THR MG 1 79 THR HA . . 4.370 3.813 3.590 4.003 . 0 0 "[ . 1 . 2]" 1
1170 1 111 ILE MG 1 112 THR HA . . 5.020 3.985 3.687 4.117 . 0 0 "[ . 1 . 2]" 1
1171 1 111 ILE HA 1 111 ILE HG13 . . 3.900 2.486 2.440 2.535 . 0 0 "[ . 1 . 2]" 1
1172 1 111 ILE HG12 1 112 THR H . . 4.560 4.534 4.388 4.577 0.017 5 0 "[ . 1 . 2]" 1
1173 1 88 THR H 1 111 ILE HG12 . . 4.570 4.528 4.214 4.577 0.007 19 0 "[ . 1 . 2]" 1
1174 1 38 GLN HA 1 77 ILE HG13 . . 4.690 2.942 2.634 3.148 . 0 0 "[ . 1 . 2]" 1
1175 1 38 GLN HB2 1 77 ILE HG13 . . 4.560 3.655 3.309 3.919 . 0 0 "[ . 1 . 2]" 1
1176 1 38 GLN HB3 1 77 ILE HG13 . . 4.080 2.396 1.998 2.625 . 0 0 "[ . 1 . 2]" 1
1177 1 41 GLU QG 1 49 ILE HG12 . . 5.130 4.283 3.833 5.032 . 0 0 "[ . 1 . 2]" 1
1178 1 88 THR HA 1 111 ILE HA . . 3.420 2.571 2.474 2.632 . 0 0 "[ . 1 . 2]" 1
1179 1 111 ILE HA 1 111 ILE HG12 . . 3.860 3.050 2.951 3.120 . 0 0 "[ . 1 . 2]" 1
1180 1 108 ILE HA 1 108 ILE MD . . 4.390 4.166 4.144 4.180 . 0 0 "[ . 1 . 2]" 1
1181 1 50 GLN H 1 97 THR HA . . 3.620 2.600 2.302 2.794 . 0 0 "[ . 1 . 2]" 1
1182 1 106 SER HA 1 107 ASP H . . 3.380 2.146 2.136 2.193 . 0 0 "[ . 1 . 2]" 1
1183 1 92 LYS QE 1 106 SER HA . . 5.500 4.899 4.521 5.225 . 0 0 "[ . 1 . 2]" 1
1184 1 84 VAL HA 1 85 PRO HG3 . . 4.390 4.335 4.329 4.344 . 0 0 "[ . 1 . 2]" 1
1185 1 18 PRO HG3 1 97 THR MG . . 3.630 2.752 2.505 2.867 . 0 0 "[ . 1 . 2]" 1
1186 1 36 LEU HA 1 36 LEU HG . . 3.860 3.003 2.346 3.673 . 0 0 "[ . 1 . 2]" 1
1187 1 16 GLN HA 1 99 ILE HG12 . . 4.540 3.816 3.716 3.957 . 0 0 "[ . 1 . 2]" 1
1188 1 18 PRO HG2 1 102 GLY HA2 . . 4.790 2.922 2.771 3.084 . 0 0 "[ . 1 . 2]" 1
1189 1 17 ALA MB 1 18 PRO HG2 . . 4.100 3.617 3.584 3.697 . 0 0 "[ . 1 . 2]" 1
1190 1 18 PRO HG2 1 102 GLY HA3 . . 4.580 2.148 2.024 2.426 . 0 0 "[ . 1 . 2]" 1
1191 1 45 PRO QG 1 46 ASN H . . 2.000 1.969 1.958 1.981 . 0 0 "[ . 1 . 2]" 1
1192 1 94 LEU HA 1 94 LEU MD2 . . 4.570 4.092 4.082 4.107 . 0 0 "[ . 1 . 2]" 1
1193 1 94 LEU MD2 1 104 LEU HA . . 4.820 3.568 3.115 3.870 . 0 0 "[ . 1 . 2]" 1
1194 1 94 LEU MD2 1 101 ASP HB2 . . 4.230 3.800 3.671 3.965 . 0 0 "[ . 1 . 2]" 1
1195 1 94 LEU MD2 1 101 ASP HB3 . . 4.650 4.624 4.493 4.652 0.002 4 0 "[ . 1 . 2]" 1
1196 1 30 LEU H 1 35 ILE HA . . 3.580 3.032 2.141 3.212 . 0 0 "[ . 1 . 2]" 1
1197 1 38 GLN HA 1 77 ILE HA . . 3.230 2.320 2.107 2.464 . 0 0 "[ . 1 . 2]" 1
1198 1 38 GLN HB2 1 77 ILE HA . . 4.360 4.162 3.694 4.363 0.003 4 0 "[ . 1 . 2]" 1
1199 1 38 GLN HB3 1 77 ILE HA . . 4.170 3.695 3.333 4.102 . 0 0 "[ . 1 . 2]" 1
1200 1 77 ILE HA 1 77 ILE HG13 . . 3.550 2.360 2.298 2.455 . 0 0 "[ . 1 . 2]" 1
1201 1 77 ILE HA 1 77 ILE HG12 . . 3.990 3.104 2.995 3.219 . 0 0 "[ . 1 . 2]" 1
1202 1 19 SER HA 1 103 PRO HG3 . . 4.160 3.300 3.208 3.612 . 0 0 "[ . 1 . 2]" 1
1203 1 21 ALA MB 1 103 PRO HG3 . . 4.600 4.275 3.679 4.590 . 0 0 "[ . 1 . 2]" 1
1204 1 21 ALA MB 1 103 PRO HG2 . . 4.060 3.065 2.511 3.310 . 0 0 "[ . 1 . 2]" 1
1205 1 29 MET HA 1 30 LEU HG . . 4.990 3.463 3.299 4.201 . 0 0 "[ . 1 . 2]" 1
1206 1 108 ILE HG13 1 109 GLN H . . 4.170 4.017 3.860 4.164 . 0 0 "[ . 1 . 2]" 1
1207 1 108 ILE HG13 1 108 ILE MG . . 3.720 3.181 3.147 3.202 . 0 0 "[ . 1 . 2]" 1
1208 1 107 ASP HA 1 108 ILE HG12 . . 4.840 3.857 3.584 4.092 . 0 0 "[ . 1 . 2]" 1
1209 1 91 VAL HB 1 108 ILE HG12 . . 3.830 3.339 3.072 3.567 . 0 0 "[ . 1 . 2]" 1
1210 1 80 ILE H 1 80 ILE HG12 . . 4.330 3.903 3.791 4.106 . 0 0 "[ . 1 . 2]" 1
1211 1 63 HIS HA 1 63 HIS HD2 . . 4.300 3.666 3.076 4.162 . 0 0 "[ . 1 . 2]" 1
1212 1 91 VAL HB 1 108 ILE HG13 . . 3.570 2.088 1.999 2.322 . 0 0 "[ . 1 . 2]" 1
1213 1 108 ILE HG12 1 108 ILE MG . . 3.580 2.238 2.078 2.381 . 0 0 "[ . 1 . 2]" 1
1214 1 83 LEU H 1 83 LEU MD1 . . 3.730 3.632 3.286 3.730 . 0 0 "[ . 1 . 2]" 1
1215 1 83 LEU MD1 1 89 TYR QE . . 4.960 3.932 3.481 4.237 . 0 0 "[ . 1 . 2]" 1
1216 1 33 THR HA 1 83 LEU MD1 . . 5.500 3.839 3.478 4.136 . 0 0 "[ . 1 . 2]" 1
1217 1 83 LEU HA 1 83 LEU MD1 . . 4.200 3.975 3.957 3.982 . 0 0 "[ . 1 . 2]" 1
1218 1 83 LEU HB3 1 83 LEU MD1 . . 3.150 2.481 2.364 2.655 . 0 0 "[ . 1 . 2]" 1
1219 1 90 SER HA 1 109 GLN HA . . 3.500 2.504 2.123 2.732 . 0 0 "[ . 1 . 2]" 1
1220 1 90 SER HA 1 91 VAL HB . . 4.710 4.532 4.467 4.641 . 0 0 "[ . 1 . 2]" 1
1221 1 90 SER HA 1 91 VAL MG2 . . 4.380 3.428 3.331 3.594 . 0 0 "[ . 1 . 2]" 1
1222 1 116 SER HA 1 117 GLY H . . 3.230 2.421 2.151 2.684 . 0 0 "[ . 1 . 2]" 1
1223 1 92 LYS HD3 1 104 LEU MD1 . . 4.400 3.706 2.678 4.000 . 0 0 "[ . 1 . 2]" 1
1224 1 94 LEU H 1 94 LEU HG . . 4.200 2.695 2.617 2.764 . 0 0 "[ . 1 . 2]" 1
1225 1 53 ARG QB 1 94 LEU HG . . 4.300 2.286 1.990 2.638 . 0 0 "[ . 1 . 2]" 1
1226 1 20 SER HA 1 103 PRO HG3 . . 3.870 3.598 3.336 3.872 0.002 12 0 "[ . 1 . 2]" 1
1227 1 20 SER HA 1 103 PRO HG2 . . 3.990 3.314 3.035 3.571 . 0 0 "[ . 1 . 2]" 1
1228 1 20 SER HA 1 21 ALA MB . . 4.250 3.950 3.921 4.004 . 0 0 "[ . 1 . 2]" 1
1229 1 30 LEU HA 1 30 LEU MD1 . . 4.200 3.952 3.819 3.981 . 0 0 "[ . 1 . 2]" 1
1230 1 30 LEU MD1 1 36 LEU HB2 . . 5.270 2.285 1.922 2.769 . 0 0 "[ . 1 . 2]" 1
1231 1 36 LEU HA 1 36 LEU MD2 . . 3.930 3.497 1.901 3.914 . 0 0 "[ . 1 . 2]" 1
1232 1 36 LEU MD2 1 38 GLN HB3 . . 5.350 3.174 2.352 4.016 . 0 0 "[ . 1 . 2]" 1
1233 1 67 TRP HA 1 67 TRP HD1 . . 4.040 2.491 2.384 2.554 . 0 0 "[ . 1 . 2]" 1
1234 1 57 THR HB 1 67 TRP HA . . 3.660 2.940 2.767 3.131 . 0 0 "[ . 1 . 2]" 1
1235 1 40 LYS H 1 40 LYS HG2 . . 4.520 4.224 3.337 4.495 . 0 0 "[ . 1 . 2]" 1
1236 1 24 ASP HB3 1 40 LYS HG3 . . 4.890 2.814 2.242 3.259 . 0 0 "[ . 1 . 2]" 1
1237 1 40 LYS H 1 40 LYS HG3 . . 4.520 3.625 3.350 4.398 . 0 0 "[ . 1 . 2]" 1
1238 1 57 THR H 1 89 TYR HA . . 4.720 4.597 4.427 4.716 . 0 0 "[ . 1 . 2]" 1
1239 1 89 TYR HA 1 89 TYR QD . . 4.060 2.881 2.703 2.999 . 0 0 "[ . 1 . 2]" 1
1240 1 58 MET HB2 1 89 TYR HA . . 5.440 5.238 4.894 5.390 . 0 0 "[ . 1 . 2]" 1
1241 1 19 SER HA 1 103 PRO HD3 . . 4.580 2.486 2.224 2.666 . 0 0 "[ . 1 . 2]" 1
1242 1 19 SER HA 1 103 PRO HD2 . . 4.580 2.860 2.705 3.018 . 0 0 "[ . 1 . 2]" 1
1243 1 75 SER HA 1 77 ILE H . . 4.330 4.226 4.132 4.265 . 0 0 "[ . 1 . 2]" 1
1244 1 75 SER HA 1 76 GLN HG3 . . 5.500 5.437 5.195 5.505 0.005 4 0 "[ . 1 . 2]" 1
1245 1 75 SER HA 1 76 GLN QB . . 5.180 3.911 3.877 3.948 . 0 0 "[ . 1 . 2]" 1
1246 1 104 LEU MD2 1 105 SER H . . 4.780 3.228 2.181 3.675 . 0 0 "[ . 1 . 2]" 1
1247 1 104 LEU HA 1 104 LEU MD2 . . 4.410 2.741 2.357 3.073 . 0 0 "[ . 1 . 2]" 1
1248 1 92 LYS HB3 1 104 LEU MD2 . . 4.550 2.349 2.017 2.876 . 0 0 "[ . 1 . 2]" 1
1249 1 26 GLN H 1 39 TRP HA . . 4.060 3.998 3.722 4.064 0.004 4 0 "[ . 1 . 2]" 1
1250 1 25 VAL HA 1 39 TRP HA . . 3.490 2.723 2.138 3.046 . 0 0 "[ . 1 . 2]" 1
1251 1 39 TRP HA 1 40 LYS HB2 . . 5.030 4.315 4.175 4.406 . 0 0 "[ . 1 . 2]" 1
1252 1 36 LEU HA 1 36 LEU MD1 . . 3.930 2.817 2.085 3.641 . 0 0 "[ . 1 . 2]" 1
1253 1 68 MET H 1 68 MET HA . . 2.930 2.836 2.806 2.914 . 0 0 "[ . 1 . 2]" 1
1254 1 68 MET HA 1 69 LYS HG3 . . 4.890 3.907 3.246 4.584 . 0 0 "[ . 1 . 2]" 1
1255 1 53 ARG H 1 94 LEU MD1 . . 4.500 3.453 3.086 3.779 . 0 0 "[ . 1 . 2]" 1
1256 1 94 LEU H 1 94 LEU MD1 . . 4.640 3.952 3.898 4.013 . 0 0 "[ . 1 . 2]" 1
1257 1 55 TYR QE 1 94 LEU MD1 . . 4.490 4.282 4.166 4.355 . 0 0 "[ . 1 . 2]" 1
1258 1 52 TYR HA 1 94 LEU MD1 . . 5.330 3.707 3.602 3.925 . 0 0 "[ . 1 . 2]" 1
1259 1 29 MET ME 1 31 SER HA . . 4.860 4.821 4.774 4.869 0.009 12 0 "[ . 1 . 2]" 1
1260 1 85 PRO HA 1 86 GLN HA . . 4.500 4.438 4.379 4.463 . 0 0 "[ . 1 . 2]" 1
1261 1 86 GLN HA 1 86 GLN HG2 . . 3.470 2.628 2.225 3.313 . 0 0 "[ . 1 . 2]" 1
1262 1 86 GLN HA 1 111 ILE MG . . 4.050 2.873 2.682 3.122 . 0 0 "[ . 1 . 2]" 1
1263 1 15 GLU HA 1 47 GLY HA2 . . 4.880 4.110 3.389 4.391 . 0 0 "[ . 1 . 2]" 1
1264 1 14 SER QB 1 15 GLU HA . . 5.190 4.487 4.291 4.735 . 0 0 "[ . 1 . 2]" 1
1265 1 15 GLU HA 1 46 ASN QB . . 5.220 3.890 3.124 5.038 . 0 0 "[ . 1 . 2]" 1
1266 1 29 MET HA 1 30 LEU H . . 3.110 2.201 2.169 2.351 . 0 0 "[ . 1 . 2]" 1
1267 1 29 MET HA 1 35 ILE HA . . 3.370 2.528 1.912 2.674 . 0 0 "[ . 1 . 2]" 1
1268 1 29 MET HA 1 29 MET ME . . 4.310 4.116 3.633 4.150 . 0 0 "[ . 1 . 2]" 1
1269 1 29 MET HA 1 35 ILE HB . . 4.170 3.835 3.199 4.019 . 0 0 "[ . 1 . 2]" 1
1270 1 67 TRP HZ3 1 92 LYS HG2 . . 4.780 4.124 3.710 4.632 . 0 0 "[ . 1 . 2]" 1
1271 1 92 LYS HG2 1 107 ASP HA . . 4.400 2.452 2.099 2.711 . 0 0 "[ . 1 . 2]" 1
1272 1 84 VAL HB 1 87 LYS HG2 . . 5.490 4.641 2.773 5.285 . 0 0 "[ . 1 . 2]" 1
1273 1 84 VAL HB 1 87 LYS HG3 . . 4.300 3.689 1.996 4.302 0.002 7 0 "[ . 1 . 2]" 1
1274 1 84 VAL MG1 1 87 LYS HG3 . . 4.280 2.022 1.889 2.995 . 0 0 "[ . 1 . 2]" 1
1275 1 95 ALA H 1 95 ALA MB . . 3.530 2.428 2.248 2.522 . 0 0 "[ . 1 . 2]" 1
1276 1 52 TYR QE 1 95 ALA MB . . 4.020 2.384 2.009 2.765 . 0 0 "[ . 1 . 2]" 1
1277 1 52 TYR QD 1 95 ALA MB . . 3.680 2.593 2.376 2.779 . 0 0 "[ . 1 . 2]" 1
1278 1 52 TYR HA 1 95 ALA MB . . 4.500 4.456 4.312 4.507 0.007 19 0 "[ . 1 . 2]" 1
1279 1 42 PRO QD 1 95 ALA MB . . 3.980 2.748 2.439 3.160 . 0 0 "[ . 1 . 2]" 1
1280 1 49 ILE HA 1 95 ALA MB . . 5.500 5.079 4.944 5.260 . 0 0 "[ . 1 . 2]" 1
1281 1 18 PRO HB3 1 95 ALA MB . . 4.160 3.023 2.704 3.290 . 0 0 "[ . 1 . 2]" 1
1282 1 22 PRO HB3 1 95 ALA MB . . 4.510 3.655 3.194 4.077 . 0 0 "[ . 1 . 2]" 1
1283 1 18 PRO HG2 1 95 ALA MB . . 4.060 3.558 3.322 3.865 . 0 0 "[ . 1 . 2]" 1
1284 1 18 PRO HB2 1 95 ALA MB . . 4.210 2.708 2.401 3.055 . 0 0 "[ . 1 . 2]" 1
1285 1 18 PRO HG3 1 95 ALA MB . . 3.630 2.941 2.709 3.194 . 0 0 "[ . 1 . 2]" 1
1286 1 55 TYR HA 1 55 TYR QD . . 4.270 3.121 3.087 3.157 . 0 0 "[ . 1 . 2]" 1
1287 1 55 TYR HA 1 56 TYR QD . . 4.250 3.509 3.185 3.637 . 0 0 "[ . 1 . 2]" 1
1288 1 12 GLN HA 1 12 GLN QG . . 3.950 2.393 2.027 3.340 . 0 0 "[ . 1 . 2]" 1
1289 1 52 TYR HA 1 96 PHE QD . . 4.520 2.478 2.286 2.768 . 0 0 "[ . 1 . 2]" 1
1290 1 52 TYR HA 1 94 LEU MD2 . . 5.330 5.327 5.280 5.353 0.023 8 0 "[ . 1 . 2]" 1
1291 1 52 TYR HA 1 95 ALA HA . . 3.360 2.993 2.809 3.075 . 0 0 "[ . 1 . 2]" 1
1292 1 56 TYR HA 1 57 THR MG . . 4.580 3.793 3.762 3.823 . 0 0 "[ . 1 . 2]" 1
1293 1 56 TYR HA 1 67 TRP HE3 . . 3.920 3.283 2.880 3.734 . 0 0 "[ . 1 . 2]" 1
1294 1 56 TYR HA 1 56 TYR QD . . 4.410 3.737 3.732 3.740 . 0 0 "[ . 1 . 2]" 1
1295 1 56 TYR HA 1 67 TRP HZ3 . . 4.450 3.538 3.039 4.457 0.007 8 0 "[ . 1 . 2]" 1
1296 1 96 PHE HA 1 96 PHE QD . . 4.290 3.711 3.704 3.718 . 0 0 "[ . 1 . 2]" 1
1297 1 96 PHE HA 1 101 ASP HA . . 3.680 2.453 2.309 2.596 . 0 0 "[ . 1 . 2]" 1
1298 1 18 PRO HD3 1 96 PHE HA . . 4.560 3.228 3.031 3.344 . 0 0 "[ . 1 . 2]" 1
1299 1 18 PRO HD2 1 96 PHE HA . . 4.390 3.019 2.908 3.187 . 0 0 "[ . 1 . 2]" 1
1300 1 18 PRO HG3 1 96 PHE HA . . 4.560 2.020 1.996 2.175 . 0 0 "[ . 1 . 2]" 1
1301 1 53 ARG HA 1 72 VAL H . . 4.620 4.399 3.890 4.556 . 0 0 "[ . 1 . 2]" 1
1302 1 53 ARG HA 1 53 ARG HG2 . . 4.250 2.853 2.582 3.361 . 0 0 "[ . 1 . 2]" 1
1303 1 65 ASN HA 1 69 LYS HE3 . . 4.240 2.579 2.098 3.919 . 0 0 "[ . 1 . 2]" 1
1304 1 64 VAL MG2 1 65 ASN HA . . 5.500 4.631 3.353 5.432 . 0 0 "[ . 1 . 2]" 1
1305 1 92 LYS HA 1 105 SER HG . . 3.510 3.226 2.763 3.510 0.000 17 0 "[ . 1 . 2]" 1
1306 1 56 TYR QE 1 70 HIS HA . . 4.550 3.226 3.042 3.759 . 0 0 "[ . 1 . 2]" 1
1307 1 55 TYR QE 1 65 ASN HA . . 4.090 3.322 1.998 4.094 0.004 3 0 "[ . 1 . 2]" 1
1308 1 65 ASN HA 1 69 LYS HE2 . . 4.240 3.775 2.442 4.245 0.005 12 0 "[ . 1 . 2]" 1
1309 1 58 MET HA 1 89 TYR QD . . 4.750 3.606 3.206 4.136 . 0 0 "[ . 1 . 2]" 1
1310 1 58 MET HA 1 89 TYR HA . . 3.390 3.156 2.747 3.374 . 0 0 "[ . 1 . 2]" 1
1311 1 57 THR MG 1 58 MET HA . . 4.340 4.139 3.874 4.322 . 0 0 "[ . 1 . 2]" 1
1312 1 89 TYR QD 1 112 THR MG . . 3.630 2.706 2.199 3.247 . 0 0 "[ . 1 . 2]" 1
1313 1 112 THR HA 1 112 THR MG . . 3.110 2.188 2.112 2.257 . 0 0 "[ . 1 . 2]" 1
1314 1 89 TYR HB2 1 112 THR MG . . 5.050 3.411 3.048 3.564 . 0 0 "[ . 1 . 2]" 1
1315 1 35 ILE MD 1 112 THR MG . . 4.650 4.167 3.996 4.322 . 0 0 "[ . 1 . 2]" 1
1316 1 83 LEU MD2 1 112 THR MG . . 4.350 4.316 4.060 4.353 0.003 7 0 "[ . 1 . 2]" 1
1317 1 83 LEU MD1 1 112 THR MG . . 4.350 2.597 2.463 2.786 . 0 0 "[ . 1 . 2]" 1
1318 1 92 LYS QE 1 107 ASP HA . . 4.040 2.831 2.395 3.181 . 0 0 "[ . 1 . 2]" 1
1319 1 92 LYS HD2 1 107 ASP HA . . 5.180 4.146 3.578 4.538 . 0 0 "[ . 1 . 2]" 1
1320 1 92 LYS HG3 1 107 ASP HA . . 4.400 3.896 3.371 4.396 . 0 0 "[ . 1 . 2]" 1
1321 1 49 ILE MG 1 74 ASP HA . . 5.020 3.746 3.425 4.303 . 0 0 "[ . 1 . 2]" 1
1322 1 62 GLN HA 1 63 HIS H . . 3.230 2.546 2.416 2.710 . 0 0 "[ . 1 . 2]" 1
1323 1 62 GLN HA 1 62 GLN HG3 . . 3.890 3.647 3.374 3.750 . 0 0 "[ . 1 . 2]" 1
1324 1 27 ALA MB 1 37 VAL HA . . 3.820 3.499 3.367 3.659 . 0 0 "[ . 1 . 2]" 1
1325 1 26 GLN HA 1 27 ALA MB . . 4.190 3.893 3.836 3.943 . 0 0 "[ . 1 . 2]" 1
1326 1 27 ALA MB 1 28 ARG HA . . 4.610 4.134 4.042 4.191 . 0 0 "[ . 1 . 2]" 1
1327 1 27 ALA MB 1 110 VAL HB . . 3.230 2.550 2.263 2.623 . 0 0 "[ . 1 . 2]" 1
1328 1 27 ALA MB 1 35 ILE HB . . 3.960 3.355 2.898 3.802 . 0 0 "[ . 1 . 2]" 1
1329 1 27 ALA MB 1 108 ILE MD . . 3.810 2.879 2.221 3.214 . 0 0 "[ . 1 . 2]" 1
1330 1 27 ALA MB 1 35 ILE MD . . 3.420 3.260 2.810 3.443 0.023 19 0 "[ . 1 . 2]" 1
1331 1 111 ILE HA 1 112 THR MG . . 4.490 4.049 3.879 4.246 . 0 0 "[ . 1 . 2]" 1
1332 1 56 TYR QE 1 69 LYS HA . . 4.410 4.308 4.084 4.413 0.003 3 0 "[ . 1 . 2]" 1
1333 1 69 LYS HA 1 69 LYS HG2 . . 4.010 2.754 2.588 3.296 . 0 0 "[ . 1 . 2]" 1
1334 1 69 LYS HA 1 70 HIS H . . 3.100 2.338 2.194 2.396 . 0 0 "[ . 1 . 2]" 1
1335 1 55 TYR HA 1 69 LYS HA . . 3.600 2.119 1.992 2.690 . 0 0 "[ . 1 . 2]" 1
1336 1 69 LYS HA 1 69 LYS HG3 . . 4.070 3.199 2.626 3.550 . 0 0 "[ . 1 . 2]" 1
1337 1 48 GLN HA 1 49 ILE H . . 2.830 2.147 2.138 2.203 . 0 0 "[ . 1 . 2]" 1
1338 1 48 GLN HA 1 49 ILE HA . . 4.630 4.390 4.359 4.427 . 0 0 "[ . 1 . 2]" 1
1339 1 48 GLN HA 1 48 GLN HG2 . . 3.920 2.882 2.546 3.724 . 0 0 "[ . 1 . 2]" 1
1340 1 48 GLN HA 1 49 ILE HB . . 4.710 4.646 4.625 4.703 . 0 0 "[ . 1 . 2]" 1
1341 1 48 GLN HA 1 49 ILE HG13 . . 5.500 5.465 5.353 5.502 0.002 11 0 "[ . 1 . 2]" 1
1342 1 48 GLN HA 1 49 ILE HG12 . . 4.530 3.778 3.649 3.831 . 0 0 "[ . 1 . 2]" 1
1343 1 86 GLN HA 1 113 GLN HA . . 4.990 4.865 4.322 4.995 0.005 20 0 "[ . 1 . 2]" 1
1344 1 113 GLN HA 1 113 GLN QG . . 3.480 3.335 3.324 3.367 . 0 0 "[ . 1 . 2]" 1
1345 1 111 ILE MG 1 113 GLN HA . . 4.320 4.299 4.189 4.364 0.044 19 0 "[ . 1 . 2]" 1
1346 1 49 ILE HA 1 50 GLN HA . . 4.470 4.387 4.373 4.416 . 0 0 "[ . 1 . 2]" 1
1347 1 49 ILE MG 1 50 GLN HA . . 4.550 3.949 3.670 4.204 . 0 0 "[ . 1 . 2]" 1
1348 1 97 THR H 1 101 ASP HA . . 4.550 3.341 3.127 3.496 . 0 0 "[ . 1 . 2]" 1
1349 1 96 PHE HB3 1 101 ASP HA . . 3.760 2.629 2.462 2.775 . 0 0 "[ . 1 . 2]" 1
1350 1 96 PHE HB2 1 101 ASP HA . . 3.890 2.190 1.999 2.372 . 0 0 "[ . 1 . 2]" 1
1351 1 94 LEU HB2 1 104 LEU HA . . 4.140 2.637 2.470 2.882 . 0 0 "[ . 1 . 2]" 1
1352 1 94 LEU HB3 1 104 LEU HA . . 4.140 2.299 2.085 2.518 . 0 0 "[ . 1 . 2]" 1
1353 1 104 LEU HA 1 104 LEU HG . . 3.590 2.570 2.449 2.787 . 0 0 "[ . 1 . 2]" 1
1354 1 94 LEU MD1 1 104 LEU HA . . 4.820 4.273 4.134 4.470 . 0 0 "[ . 1 . 2]" 1
1355 1 56 TYR QD 1 89 TYR QE . . 4.040 3.271 2.191 3.739 . 0 0 "[ . 1 . 2]" 1
1356 1 56 TYR QE 1 89 TYR QE . . 4.670 4.450 3.472 4.673 0.003 8 0 "[ . 1 . 2]" 1
1357 1 87 LYS HB3 1 89 TYR QE . . 4.460 3.491 3.103 3.895 . 0 0 "[ . 1 . 2]" 1
1358 1 89 TYR QE 1 112 THR MG . . 4.210 3.483 3.018 4.210 0.000 6 0 "[ . 1 . 2]" 1
1359 1 91 VAL MG2 1 109 GLN HA . . 4.690 3.688 3.419 3.905 . 0 0 "[ . 1 . 2]" 1
1360 1 54 VAL MG1 1 55 TYR H . . 4.240 2.348 1.959 2.771 . 0 0 "[ . 1 . 2]" 1
1361 1 54 VAL HA 1 54 VAL MG1 . . 3.330 2.315 2.249 2.390 . 0 0 "[ . 1 . 2]" 1
1362 1 54 VAL MG1 1 78 THR MG . . 4.310 3.000 2.618 3.360 . 0 0 "[ . 1 . 2]" 1
1363 1 30 LEU H 1 30 LEU MD2 . . 4.220 3.561 3.333 4.040 . 0 0 "[ . 1 . 2]" 1
1364 1 30 LEU HA 1 30 LEU MD2 . . 4.200 2.285 1.989 2.502 . 0 0 "[ . 1 . 2]" 1
1365 1 56 TYR QE 1 70 HIS HB3 . . 4.300 3.619 3.555 4.301 0.001 8 0 "[ . 1 . 2]" 1
1366 1 56 TYR QE 1 68 MET HB2 . . 4.930 4.334 4.096 4.511 . 0 0 "[ . 1 . 2]" 1
1367 1 83 LEU HA 1 84 VAL H . . 3.300 2.643 2.479 2.718 . 0 0 "[ . 1 . 2]" 1
1368 1 83 LEU HA 1 83 LEU HG . . 3.940 3.271 2.980 3.356 . 0 0 "[ . 1 . 2]" 1
1369 1 39 TRP HZ2 1 76 GLN HA . . 3.900 3.285 2.930 3.724 . 0 0 "[ . 1 . 2]" 1
1370 1 76 GLN HA 1 76 GLN HG3 . . 3.540 2.505 2.387 2.642 . 0 0 "[ . 1 . 2]" 1
1371 1 22 PRO HG2 1 93 VAL MG1 . . 5.130 3.408 3.000 3.841 . 0 0 "[ . 1 . 2]" 1
1372 1 39 TRP HE3 1 93 VAL MG1 . . 4.350 3.343 2.995 3.673 . 0 0 "[ . 1 . 2]" 1
1373 1 93 VAL HA 1 93 VAL MG1 . . 3.560 2.239 2.203 2.374 . 0 0 "[ . 1 . 2]" 1
1374 1 54 VAL HA 1 93 VAL MG1 . . 3.950 3.815 3.372 3.954 0.004 18 0 "[ . 1 . 2]" 1
1375 1 25 VAL MG1 1 93 VAL MG1 . . 4.200 3.778 3.333 4.227 0.027 20 0 "[ . 1 . 2]" 1
1376 1 38 GLN HA 1 39 TRP HE3 . . 4.610 3.183 2.820 3.639 . 0 0 "[ . 1 . 2]" 1
1377 1 39 TRP HA 1 40 LYS HA . . 4.700 4.417 4.398 4.437 . 0 0 "[ . 1 . 2]" 1
1378 1 40 LYS HA 1 41 GLU HA . . 5.000 4.304 4.296 4.331 . 0 0 "[ . 1 . 2]" 1
1379 1 40 LYS HA 1 41 GLU HB2 . . 4.820 4.485 4.379 4.664 . 0 0 "[ . 1 . 2]" 1
1380 1 40 LYS HA 1 76 GLN HG3 . . 5.240 4.428 4.047 5.239 . 0 0 "[ . 1 . 2]" 1
1381 1 40 LYS HA 1 40 LYS HG2 . . 4.080 2.403 2.134 2.834 . 0 0 "[ . 1 . 2]" 1
1382 1 40 LYS HA 1 40 LYS HG3 . . 4.080 2.934 2.583 3.665 . 0 0 "[ . 1 . 2]" 1
1383 1 16 GLN HA 1 17 ALA H . . 3.110 2.604 2.456 2.622 . 0 0 "[ . 1 . 2]" 1
1384 1 16 GLN HA 1 99 ILE HB . . 4.390 3.495 3.260 3.660 . 0 0 "[ . 1 . 2]" 1
1385 1 16 GLN HA 1 99 ILE HG13 . . 3.560 2.078 1.998 2.214 . 0 0 "[ . 1 . 2]" 1
1386 1 72 VAL H 1 72 VAL MG1 . . 4.000 3.823 3.073 3.971 . 0 0 "[ . 1 . 2]" 1
1387 1 72 VAL MG1 1 73 ALA H . . 4.140 2.204 1.915 3.475 . 0 0 "[ . 1 . 2]" 1
1388 1 52 TYR H 1 72 VAL MG1 . . 4.590 2.953 2.283 4.595 0.005 12 0 "[ . 1 . 2]" 1
1389 1 39 TRP HZ2 1 72 VAL MG1 . . 3.750 2.368 1.975 3.161 . 0 0 "[ . 1 . 2]" 1
1390 1 39 TRP HH2 1 72 VAL MG1 . . 3.380 2.875 2.358 3.304 . 0 0 "[ . 1 . 2]" 1
1391 1 72 VAL HA 1 72 VAL MG1 . . 3.460 2.268 2.098 2.317 . 0 0 "[ . 1 . 2]" 1
1392 1 52 TYR QB 1 72 VAL MG1 . . 4.000 2.866 2.462 4.005 0.005 8 0 "[ . 1 . 2]" 1
1393 1 34 THR MG 1 35 ILE H . . 3.250 3.011 2.569 3.113 . 0 0 "[ . 1 . 2]" 1
1394 1 34 THR HA 1 34 THR MG . . 3.230 2.067 1.998 2.172 . 0 0 "[ . 1 . 2]" 1
1395 1 34 THR MG 1 81 GLY HA2 . . 3.630 2.994 2.415 3.242 . 0 0 "[ . 1 . 2]" 1
1396 1 34 THR MG 1 81 GLY HA3 . . 3.630 2.645 2.538 2.822 . 0 0 "[ . 1 . 2]" 1
1397 1 37 VAL H 1 37 VAL MG1 . . 3.950 3.860 3.825 3.949 . 0 0 "[ . 1 . 2]" 1
1398 1 37 VAL MG1 1 39 TRP HZ3 . . 4.560 2.188 1.939 2.490 . 0 0 "[ . 1 . 2]" 1
1399 1 27 ALA HA 1 37 VAL MG1 . . 4.110 3.891 3.461 4.072 . 0 0 "[ . 1 . 2]" 1
1400 1 37 VAL HA 1 37 VAL MG1 . . 3.280 2.334 2.248 2.384 . 0 0 "[ . 1 . 2]" 1
1401 1 84 VAL H 1 84 VAL MG1 . . 4.040 2.410 1.922 3.791 . 0 0 "[ . 1 . 2]" 1
1402 1 84 VAL HA 1 84 VAL MG1 . . 3.290 2.933 1.963 3.202 . 0 0 "[ . 1 . 2]" 1
1403 1 84 VAL MG1 1 85 PRO HD3 . . 4.900 4.344 3.109 4.736 . 0 0 "[ . 1 . 2]" 1
1404 1 84 VAL MG1 1 85 PRO HD2 . . 4.310 3.512 1.908 4.072 . 0 0 "[ . 1 . 2]" 1
1405 1 72 VAL H 1 72 VAL MG2 . . 4.000 2.838 1.900 3.082 . 0 0 "[ . 1 . 2]" 1
1406 1 11 THR MG 1 12 GLN H . . 4.240 3.411 1.967 4.223 . 0 0 "[ . 1 . 2]" 1
1407 1 52 TYR H 1 72 VAL MG2 . . 4.590 3.495 1.888 3.974 . 0 0 "[ . 1 . 2]" 1
1408 1 39 TRP HZ2 1 72 VAL MG2 . . 3.750 2.600 2.222 2.988 . 0 0 "[ . 1 . 2]" 1
1409 1 39 TRP HH2 1 72 VAL MG2 . . 3.380 2.317 2.007 3.235 . 0 0 "[ . 1 . 2]" 1
1410 1 52 TYR QB 1 72 VAL MG2 . . 4.000 2.636 2.132 2.894 . 0 0 "[ . 1 . 2]" 1
1411 1 54 VAL MG2 1 55 TYR H . . 4.240 4.012 3.875 4.145 . 0 0 "[ . 1 . 2]" 1
1412 1 54 VAL H 1 54 VAL MG2 . . 4.090 2.683 2.560 2.797 . 0 0 "[ . 1 . 2]" 1
1413 1 54 VAL HA 1 54 VAL MG2 . . 3.330 2.362 2.282 2.437 . 0 0 "[ . 1 . 2]" 1
1414 1 54 VAL H 1 71 ASN HA . . 5.010 4.397 4.013 4.998 . 0 0 "[ . 1 . 2]" 1
1415 1 70 HIS H 1 71 ASN HA . . 5.500 4.797 4.727 4.976 . 0 0 "[ . 1 . 2]" 1
1416 1 53 ARG QB 1 71 ASN HA . . 5.500 5.460 5.101 5.509 0.009 3 0 "[ . 1 . 2]" 1
1417 1 22 PRO HD2 1 94 LEU HA . . 4.290 3.076 2.725 3.412 . 0 0 "[ . 1 . 2]" 1
1418 1 114 THR H 1 114 THR MG . . 4.090 2.794 1.946 3.454 . 0 0 "[ . 1 . 2]" 1
1419 1 31 SER HA 1 114 THR MG . . 4.290 2.863 2.088 4.296 0.006 7 0 "[ . 1 . 2]" 1
1420 1 114 THR HA 1 114 THR MG . . 3.250 2.290 2.005 3.206 . 0 0 "[ . 1 . 2]" 1
1421 1 32 SER QB 1 114 THR MG . . 3.890 2.960 2.040 3.686 . 0 0 "[ . 1 . 2]" 1
1422 1 88 THR MG 1 89 TYR H . . 3.530 2.211 1.918 2.736 . 0 0 "[ . 1 . 2]" 1
1423 1 88 THR MG 1 110 VAL H . . 3.800 3.583 3.041 3.804 0.004 12 0 "[ . 1 . 2]" 1
1424 1 88 THR MG 1 109 GLN HE21 . . 5.170 4.989 4.731 5.173 0.003 20 0 "[ . 1 . 2]" 1
1425 1 88 THR MG 1 109 GLN HA . . 4.180 4.066 3.728 4.187 0.007 6 0 "[ . 1 . 2]" 1
1426 1 88 THR MG 1 111 ILE HA . . 4.350 4.014 3.863 4.133 . 0 0 "[ . 1 . 2]" 1
1427 1 88 THR HA 1 88 THR MG . . 3.270 2.286 2.209 2.365 . 0 0 "[ . 1 . 2]" 1
1428 1 37 VAL H 1 79 THR MG . . 3.880 3.675 3.325 3.866 . 0 0 "[ . 1 . 2]" 1
1429 1 79 THR MG 1 80 ILE H . . 4.050 3.806 3.590 4.017 . 0 0 "[ . 1 . 2]" 1
1430 1 79 THR HA 1 79 THR MG . . 3.160 2.215 2.020 2.370 . 0 0 "[ . 1 . 2]" 1
1431 1 36 LEU HA 1 79 THR MG . . 3.490 2.543 2.002 3.163 . 0 0 "[ . 1 . 2]" 1
1432 1 78 THR HA 1 79 THR MG . . 4.440 3.915 3.511 4.293 . 0 0 "[ . 1 . 2]" 1
1433 1 25 VAL H 1 25 VAL MG1 . . 3.910 3.412 1.913 3.802 . 0 0 "[ . 1 . 2]" 1
1434 1 25 VAL MG1 1 105 SER HG . . 4.460 3.132 2.483 3.797 . 0 0 "[ . 1 . 2]" 1
1435 1 25 VAL MG1 1 39 TRP HA . . 4.610 4.346 3.969 4.612 0.002 7 0 "[ . 1 . 2]" 1
1436 1 91 VAL MG1 1 92 LYS H . . 3.470 2.415 2.103 2.692 . 0 0 "[ . 1 . 2]" 1
1437 1 91 VAL H 1 91 VAL MG1 . . 4.200 3.950 3.905 3.974 . 0 0 "[ . 1 . 2]" 1
1438 1 91 VAL HA 1 91 VAL MG1 . . 3.410 2.333 2.228 2.401 . 0 0 "[ . 1 . 2]" 1
1439 1 91 VAL MG1 1 92 LYS HA . . 4.170 3.455 3.310 3.561 . 0 0 "[ . 1 . 2]" 1
1440 1 56 TYR HB3 1 91 VAL MG1 . . 4.270 3.343 3.051 3.555 . 0 0 "[ . 1 . 2]" 1
1441 1 55 TYR QE 1 69 LYS HE2 . . 4.090 2.550 2.053 3.631 . 0 0 "[ . 1 . 2]" 1
1442 1 55 TYR QE 1 94 LEU HG . . 3.720 3.474 3.291 3.724 0.004 8 0 "[ . 1 . 2]" 1
1443 1 53 ARG QB 1 55 TYR QE . . 3.690 2.606 2.170 3.017 . 0 0 "[ . 1 . 2]" 1
1444 1 55 TYR QE 1 69 LYS HD3 . . 5.180 4.244 1.995 5.173 . 0 0 "[ . 1 . 2]" 1
1445 1 55 TYR QE 1 104 LEU HG . . 5.430 4.244 3.162 5.059 . 0 0 "[ . 1 . 2]" 1
1446 1 55 TYR QE 1 94 LEU MD2 . . 4.490 1.894 1.880 1.921 . 0 0 "[ . 1 . 2]" 1
1447 1 22 PRO HD3 1 94 LEU HA . . 4.290 2.167 2.038 2.275 . 0 0 "[ . 1 . 2]" 1
1448 1 94 LEU HA 1 94 LEU MD1 . . 4.570 3.507 3.456 3.530 . 0 0 "[ . 1 . 2]" 1
1449 1 80 ILE MD 1 91 VAL MG1 . . 4.040 3.825 3.462 4.043 0.003 19 0 "[ . 1 . 2]" 1
1450 1 37 VAL MG2 1 39 TRP HZ3 . . 4.560 3.993 3.643 4.549 . 0 0 "[ . 1 . 2]" 1
1451 1 37 VAL HA 1 37 VAL MG2 . . 3.280 2.408 2.373 2.463 . 0 0 "[ . 1 . 2]" 1
1452 1 97 THR MG 1 98 SER H . . 4.060 3.609 3.526 3.714 . 0 0 "[ . 1 . 2]" 1
1453 1 50 GLN H 1 97 THR MG . . 4.020 3.252 3.004 3.549 . 0 0 "[ . 1 . 2]" 1
1454 1 97 THR H 1 97 THR MG . . 3.640 2.853 2.668 2.987 . 0 0 "[ . 1 . 2]" 1
1455 1 97 THR MG 1 99 ILE H . . 4.450 4.204 4.181 4.219 . 0 0 "[ . 1 . 2]" 1
1456 1 96 PHE HA 1 97 THR MG . . 4.390 3.504 3.292 3.704 . 0 0 "[ . 1 . 2]" 1
1457 1 97 THR HG1 1 97 THR MG . . 3.120 2.544 2.200 2.930 . 0 0 "[ . 1 . 2]" 1
1458 1 97 THR HA 1 97 THR MG . . 2.910 2.360 2.227 2.464 . 0 0 "[ . 1 . 2]" 1
1459 1 17 ALA HA 1 97 THR MG . . 3.750 3.440 3.089 3.625 . 0 0 "[ . 1 . 2]" 1
1460 1 18 PRO HD3 1 97 THR MG . . 3.150 1.988 1.930 2.076 . 0 0 "[ . 1 . 2]" 1
1461 1 45 PRO HA 1 97 THR MG . . 4.430 4.027 3.708 4.434 0.004 15 0 "[ . 1 . 2]" 1
1462 1 49 ILE HA 1 97 THR MG . . 3.230 2.031 1.949 2.286 . 0 0 "[ . 1 . 2]" 1
1463 1 18 PRO HB3 1 97 THR MG . . 4.010 3.024 2.804 3.383 . 0 0 "[ . 1 . 2]" 1
1464 1 18 PRO HG2 1 97 THR MG . . 4.140 4.079 3.908 4.143 0.003 13 0 "[ . 1 . 2]" 1
1465 1 49 ILE HG13 1 97 THR MG . . 4.740 4.182 4.067 4.481 . 0 0 "[ . 1 . 2]" 1
1466 1 97 THR MG 1 99 ILE HB . . 5.220 4.561 4.434 4.662 . 0 0 "[ . 1 . 2]" 1
1467 1 49 ILE MG 1 97 THR MG . . 4.060 3.312 3.125 3.612 . 0 0 "[ . 1 . 2]" 1
1468 1 83 LEU MD2 1 84 VAL H . . 4.880 3.815 3.643 3.917 . 0 0 "[ . 1 . 2]" 1
1469 1 83 LEU MD2 1 89 TYR QE . . 4.960 3.178 2.439 3.511 . 0 0 "[ . 1 . 2]" 1
1470 1 83 LEU HA 1 83 LEU MD2 . . 4.200 2.332 2.149 2.485 . 0 0 "[ . 1 . 2]" 1
1471 1 83 LEU HB3 1 83 LEU MD2 . . 3.150 2.278 2.178 2.370 . 0 0 "[ . 1 . 2]" 1
1472 1 35 ILE MG 1 83 LEU MD2 . . 4.530 4.414 3.524 4.537 0.007 20 0 "[ . 1 . 2]" 1
1473 1 84 VAL H 1 84 VAL MG2 . . 4.040 3.405 2.005 3.867 . 0 0 "[ . 1 . 2]" 1
1474 1 84 VAL HA 1 84 VAL MG2 . . 3.290 2.455 2.398 2.772 . 0 0 "[ . 1 . 2]" 1
1475 1 84 VAL MG2 1 85 PRO HD2 . . 4.310 2.418 1.905 4.072 . 0 0 "[ . 1 . 2]" 1
1476 1 84 VAL MG2 1 87 LYS HE3 . . 4.370 3.907 3.653 4.309 . 0 0 "[ . 1 . 2]" 1
1477 1 58 MET ME 1 84 VAL MG2 . . 4.280 3.528 1.864 4.162 . 0 0 "[ . 1 . 2]" 1
1478 1 84 VAL MG2 1 87 LYS HB2 . . 4.260 3.505 3.385 3.567 . 0 0 "[ . 1 . 2]" 1
1479 1 84 VAL MG2 1 87 LYS HG3 . . 4.280 2.706 2.529 3.074 . 0 0 "[ . 1 . 2]" 1
1480 1 25 VAL MG2 1 26 GLN H . . 4.440 3.813 2.012 4.319 . 0 0 "[ . 1 . 2]" 1
1481 1 25 VAL MG2 1 105 SER HG . . 4.460 3.730 3.067 4.320 . 0 0 "[ . 1 . 2]" 1
1482 1 25 VAL MG2 1 39 TRP HA . . 4.610 3.241 2.804 3.635 . 0 0 "[ . 1 . 2]" 1
1483 1 25 VAL MG2 1 39 TRP HB3 . . 4.020 2.237 1.947 2.511 . 0 0 "[ . 1 . 2]" 1
1484 1 25 VAL MG2 1 39 TRP HB2 . . 4.360 2.352 1.936 3.408 . 0 0 "[ . 1 . 2]" 1
1485 1 25 VAL MG2 1 93 VAL MG1 . . 4.200 3.266 2.988 3.529 . 0 0 "[ . 1 . 2]" 1
1486 1 110 VAL H 1 110 VAL MG1 . . 4.080 2.165 1.965 2.537 . 0 0 "[ . 1 . 2]" 1
1487 1 28 ARG H 1 110 VAL MG1 . . 5.500 5.388 4.868 5.504 0.004 11 0 "[ . 1 . 2]" 1
1488 1 110 VAL HA 1 110 VAL MG1 . . 3.480 3.195 3.184 3.205 . 0 0 "[ . 1 . 2]" 1
1489 1 33 THR MG 1 82 ASN H . . 4.420 4.394 4.261 4.430 0.010 20 0 "[ . 1 . 2]" 1
1490 1 33 THR MG 1 83 LEU H . . 4.020 3.300 3.141 3.622 . 0 0 "[ . 1 . 2]" 1
1491 1 33 THR H 1 33 THR MG . . 3.790 3.357 3.247 3.525 . 0 0 "[ . 1 . 2]" 1
1492 1 33 THR HA 1 33 THR MG . . 2.830 2.146 2.064 2.210 . 0 0 "[ . 1 . 2]" 1
1493 1 33 THR MG 1 82 ASN HA . . 4.430 4.036 3.877 4.132 . 0 0 "[ . 1 . 2]" 1
1494 1 33 THR MG 1 85 PRO HD3 . . 3.530 2.349 2.209 2.608 . 0 0 "[ . 1 . 2]" 1
1495 1 33 THR MG 1 85 PRO HG2 . . 4.980 4.647 4.541 4.830 . 0 0 "[ . 1 . 2]" 1
1496 1 33 THR MG 1 85 PRO HG3 . . 3.900 3.602 3.510 3.736 . 0 0 "[ . 1 . 2]" 1
1497 1 87 LYS HA 1 87 LYS HG2 . . 4.230 2.940 2.808 2.985 . 0 0 "[ . 1 . 2]" 1
1498 1 44 GLU HA 1 45 PRO QD . . 3.160 2.017 1.998 2.068 . 0 0 "[ . 1 . 2]" 1
1499 1 56 TYR HB3 1 91 VAL MG2 . . 3.800 2.967 2.736 3.585 . 0 0 "[ . 1 . 2]" 1
1500 1 56 TYR HB2 1 91 VAL MG2 . . 3.640 3.008 2.801 3.546 . 0 0 "[ . 1 . 2]" 1
1501 1 89 TYR HB3 1 91 VAL MG2 . . 4.170 3.404 3.282 3.478 . 0 0 "[ . 1 . 2]" 1
1502 1 35 ILE MD 1 91 VAL MG2 . . 3.420 2.995 2.720 3.247 . 0 0 "[ . 1 . 2]" 1
1503 1 80 ILE MD 1 91 VAL MG2 . . 4.340 3.847 3.496 4.213 . 0 0 "[ . 1 . 2]" 1
1504 1 56 TYR HA 1 91 VAL MG2 . . 4.190 3.696 3.612 3.807 . 0 0 "[ . 1 . 2]" 1
1505 1 91 VAL HA 1 91 VAL MG2 . . 3.340 2.342 2.290 2.396 . 0 0 "[ . 1 . 2]" 1
1506 1 91 VAL MG2 1 108 ILE HG13 . . 4.140 3.547 3.412 3.666 . 0 0 "[ . 1 . 2]" 1
1507 1 27 ALA MB 1 91 VAL MG2 . . 3.470 2.816 2.273 3.146 . 0 0 "[ . 1 . 2]" 1
1508 1 93 VAL MG2 1 94 LEU H . . 3.980 3.967 3.906 4.002 0.022 20 0 "[ . 1 . 2]" 1
1509 1 39 TRP HE3 1 93 VAL MG2 . . 4.350 2.691 2.457 2.978 . 0 0 "[ . 1 . 2]" 1
1510 1 93 VAL HA 1 93 VAL MG2 . . 3.560 2.432 2.370 2.473 . 0 0 "[ . 1 . 2]" 1
1511 1 54 VAL HA 1 93 VAL MG2 . . 3.950 3.156 2.844 3.343 . 0 0 "[ . 1 . 2]" 1
1512 1 52 TYR QB 1 93 VAL MG2 . . 4.720 4.687 4.452 4.733 0.013 20 0 "[ . 1 . 2]" 1
1513 1 22 PRO HG2 1 93 VAL MG2 . . 5.130 4.345 4.109 4.694 . 0 0 "[ . 1 . 2]" 1
1514 1 22 PRO HG3 1 93 VAL MG2 . . 5.130 4.239 4.058 4.566 . 0 0 "[ . 1 . 2]" 1
1515 1 25 VAL MG1 1 93 VAL MG2 . . 4.200 2.379 1.861 3.300 . 0 0 "[ . 1 . 2]" 1
1516 1 25 VAL MG2 1 93 VAL MG2 . . 4.200 2.860 1.885 3.467 . 0 0 "[ . 1 . 2]" 1
1517 1 89 TYR H 1 110 VAL MG2 . . 5.500 5.081 4.588 5.364 . 0 0 "[ . 1 . 2]" 1
1518 1 110 VAL MG2 1 111 ILE H . . 4.360 2.427 2.226 2.551 . 0 0 "[ . 1 . 2]" 1
1519 1 110 VAL HA 1 110 VAL MG2 . . 3.480 2.304 2.242 2.398 . 0 0 "[ . 1 . 2]" 1
1520 1 64 VAL MG1 1 65 ASN H . . 4.240 3.542 2.592 4.151 . 0 0 "[ . 1 . 2]" 1
1521 1 63 HIS HE1 1 64 VAL MG1 . . 5.050 4.658 3.983 5.053 0.003 6 0 "[ . 1 . 2]" 1
1522 1 64 VAL MG1 1 65 ASN HA . . 5.500 4.207 2.996 5.448 . 0 0 "[ . 1 . 2]" 1
1523 1 64 VAL MG1 1 92 LYS QE . . 4.920 3.819 2.523 4.487 . 0 0 "[ . 1 . 2]" 1
1524 1 52 TYR H 1 73 ALA HA . . 4.630 4.422 4.023 4.645 0.015 8 0 "[ . 1 . 2]" 1
1525 1 51 GLY HA2 1 73 ALA HA . . 4.010 3.739 3.344 4.012 0.002 18 0 "[ . 1 . 2]" 1
1526 1 64 VAL MG2 1 65 ASN H . . 4.240 3.081 1.921 3.940 . 0 0 "[ . 1 . 2]" 1
1527 1 64 VAL H 1 64 VAL MG2 . . 4.020 2.380 1.904 3.229 . 0 0 "[ . 1 . 2]" 1
1528 1 55 TYR QD 1 64 VAL MG2 . . 4.980 4.448 3.684 4.813 . 0 0 "[ . 1 . 2]" 1
1529 1 55 TYR HB2 1 64 VAL MG2 . . 5.500 5.312 4.840 5.513 0.013 4 0 "[ . 1 . 2]" 1
1530 1 64 VAL MG2 1 92 LYS QE . . 4.920 4.366 2.177 4.922 0.002 20 0 "[ . 1 . 2]" 1
1531 1 64 VAL HA 1 64 VAL MG2 . . 3.440 2.660 2.252 3.192 . 0 0 "[ . 1 . 2]" 1
1532 1 64 VAL MG1 1 92 LYS HD3 . . 4.890 2.955 2.005 3.561 . 0 0 "[ . 1 . 2]" 1
1533 1 64 VAL MG2 1 92 LYS HD3 . . 4.890 4.052 2.436 4.720 . 0 0 "[ . 1 . 2]" 1
1534 1 84 VAL MG2 1 85 PRO HD3 . . 4.900 3.600 3.284 4.665 . 0 0 "[ . 1 . 2]" 1
1535 1 84 VAL HA 1 85 PRO HD2 . . 3.100 2.107 2.089 2.136 . 0 0 "[ . 1 . 2]" 1
1536 1 33 THR MG 1 85 PRO HD2 . . 4.050 3.714 3.551 4.040 . 0 0 "[ . 1 . 2]" 1
1537 1 17 ALA HA 1 97 THR HG1 . . 3.610 2.387 2.190 2.796 . 0 0 "[ . 1 . 2]" 1
1538 1 17 ALA HA 1 18 PRO HD3 . . 3.290 2.338 2.337 2.340 . 0 0 "[ . 1 . 2]" 1
1539 1 17 ALA HA 1 99 ILE HB . . 4.330 2.386 2.213 2.614 . 0 0 "[ . 1 . 2]" 1
1540 1 17 ALA HA 1 99 ILE MG . . 4.610 3.403 3.072 3.787 . 0 0 "[ . 1 . 2]" 1
1541 1 73 ALA MB 1 74 ASP H . . 3.830 3.714 3.698 3.721 . 0 0 "[ . 1 . 2]" 1
1542 1 73 ALA MB 1 74 ASP HA . . 5.210 5.079 5.065 5.087 . 0 0 "[ . 1 . 2]" 1
1543 1 72 VAL HA 1 73 ALA MB . . 3.910 3.887 3.845 3.909 . 0 0 "[ . 1 . 2]" 1
1544 1 22 PRO HA 1 42 PRO QD . . 4.460 4.077 3.993 4.200 . 0 0 "[ . 1 . 2]" 1
1545 1 41 GLU HB3 1 42 PRO QD . . 3.860 2.275 2.000 2.622 . 0 0 "[ . 1 . 2]" 1
1546 1 60 PRO HB3 1 67 TRP HZ2 . . 4.400 2.981 2.761 3.245 . 0 0 "[ . 1 . 2]" 1
1547 1 59 ASP HA 1 60 PRO HD2 . . 3.260 2.028 1.999 2.047 . 0 0 "[ . 1 . 2]" 1
1548 1 57 THR MG 1 60 PRO HD2 . . 4.500 4.205 4.054 4.471 . 0 0 "[ . 1 . 2]" 1
1549 1 59 ASP HA 1 60 PRO HD3 . . 3.260 2.834 2.782 2.866 . 0 0 "[ . 1 . 2]" 1
1550 1 57 THR MG 1 60 PRO HD3 . . 4.500 3.152 3.008 3.391 . 0 0 "[ . 1 . 2]" 1
1551 1 39 TRP HH2 1 78 THR MG . . 3.050 2.670 2.048 2.917 . 0 0 "[ . 1 . 2]" 1
1552 1 39 TRP HZ3 1 78 THR MG . . 3.390 2.226 1.960 2.447 . 0 0 "[ . 1 . 2]" 1
1553 1 77 ILE HA 1 78 THR MG . . 4.420 3.731 3.506 3.878 . 0 0 "[ . 1 . 2]" 1
1554 1 37 VAL HB 1 78 THR MG . . 3.310 2.066 1.889 2.419 . 0 0 "[ . 1 . 2]" 1
1555 1 54 VAL MG2 1 78 THR MG . . 4.310 2.300 1.983 2.677 . 0 0 "[ . 1 . 2]" 1
1556 1 78 THR MG 1 80 ILE HG12 . . 4.180 3.932 3.655 4.131 . 0 0 "[ . 1 . 2]" 1
1557 1 78 THR MG 1 80 ILE HG13 . . 4.180 2.918 2.755 3.152 . 0 0 "[ . 1 . 2]" 1
1558 1 27 ALA H 1 108 ILE MG . . 5.210 5.074 4.638 5.214 0.004 5 0 "[ . 1 . 2]" 1
1559 1 108 ILE MG 1 109 GLN H . . 3.780 3.614 3.457 3.754 . 0 0 "[ . 1 . 2]" 1
1560 1 108 ILE HA 1 108 ILE MG . . 3.010 2.192 2.119 2.354 . 0 0 "[ . 1 . 2]" 1
1561 1 39 TRP HZ2 1 52 TYR QB . . 4.060 2.157 2.014 2.368 . 0 0 "[ . 1 . 2]" 1
1562 1 27 ALA HA 1 38 GLN H . . 3.960 3.833 3.675 3.980 0.020 16 0 "[ . 1 . 2]" 1
1563 1 27 ALA HA 1 37 VAL HA . . 3.180 2.700 2.401 2.851 . 0 0 "[ . 1 . 2]" 1
1564 1 26 GLN HA 1 27 ALA HA . . 4.970 4.399 4.381 4.479 . 0 0 "[ . 1 . 2]" 1
1565 1 27 ALA HA 1 28 ARG HA . . 5.300 4.394 4.392 4.402 . 0 0 "[ . 1 . 2]" 1
1566 1 27 ALA HA 1 37 VAL MG2 . . 4.110 3.249 2.664 3.530 . 0 0 "[ . 1 . 2]" 1
1567 1 18 PRO HD3 1 97 THR HG1 . . 4.600 2.743 2.176 3.335 . 0 0 "[ . 1 . 2]" 1
1568 1 17 ALA HA 1 18 PRO HD2 . . 3.540 2.490 2.487 2.492 . 0 0 "[ . 1 . 2]" 1
1569 1 17 ALA MB 1 18 PRO HD2 . . 3.540 2.065 2.033 2.118 . 0 0 "[ . 1 . 2]" 1
1570 1 58 MET QG 1 59 ASP HA . . 4.220 3.887 3.672 4.115 . 0 0 "[ . 1 . 2]" 1
1571 1 21 ALA HA 1 22 PRO HD2 . . 3.900 2.428 2.420 2.447 . 0 0 "[ . 1 . 2]" 1
1572 1 21 ALA HA 1 22 PRO HD3 . . 3.900 2.310 2.306 2.318 . 0 0 "[ . 1 . 2]" 1
1573 1 21 ALA HA 1 103 PRO HG2 . . 4.630 3.158 2.778 3.404 . 0 0 "[ . 1 . 2]" 1
1574 1 45 PRO QD 1 46 ASN H . . 3.000 2.884 2.877 2.890 . 0 0 "[ . 1 . 2]" 1
1575 1 21 ALA MB 1 105 SER H . . 3.810 3.712 3.212 3.816 0.006 15 0 "[ . 1 . 2]" 1
1576 1 21 ALA H 1 21 ALA MB . . 2.990 2.141 2.091 2.205 . 0 0 "[ . 1 . 2]" 1
1577 1 21 ALA MB 1 22 PRO HD2 . . 3.390 1.995 1.961 2.065 . 0 0 "[ . 1 . 2]" 1
1578 1 21 ALA MB 1 105 SER HB2 . . 3.750 3.159 2.563 3.760 0.010 20 0 "[ . 1 . 2]" 1
1579 1 21 ALA MB 1 105 SER HA . . 3.030 2.158 1.941 2.475 . 0 0 "[ . 1 . 2]" 1
1580 1 21 ALA MB 1 105 SER HB3 . . 3.750 3.182 2.695 3.727 . 0 0 "[ . 1 . 2]" 1
1581 1 21 ALA MB 1 22 PRO HD3 . . 3.390 3.192 3.151 3.253 . 0 0 "[ . 1 . 2]" 1
1582 1 21 ALA MB 1 103 PRO HB2 . . 3.800 3.281 2.583 3.769 . 0 0 "[ . 1 . 2]" 1
1583 1 21 ALA MB 1 22 PRO HG3 . . 4.680 4.391 4.345 4.428 . 0 0 "[ . 1 . 2]" 1
1584 1 49 ILE MG 1 50 GLN H . . 3.520 2.431 2.076 2.871 . 0 0 "[ . 1 . 2]" 1
1585 1 49 ILE MG 1 52 TYR QE . . 4.300 2.601 2.358 2.901 . 0 0 "[ . 1 . 2]" 1
1586 1 49 ILE HA 1 49 ILE MG . . 3.200 2.308 2.252 2.352 . 0 0 "[ . 1 . 2]" 1
1587 1 41 GLU QG 1 49 ILE MG . . 4.360 3.674 3.358 4.225 . 0 0 "[ . 1 . 2]" 1
1588 1 49 ILE HG13 1 49 ILE MG . . 3.540 2.327 2.302 2.368 . 0 0 "[ . 1 . 2]" 1
1589 1 49 ILE MG 1 95 ALA MB . . 3.310 3.150 2.918 3.311 0.001 14 0 "[ . 1 . 2]" 1
1590 1 17 ALA H 1 99 ILE MG . . 3.490 2.160 1.921 2.543 . 0 0 "[ . 1 . 2]" 1
1591 1 16 GLN HA 1 99 ILE MG . . 3.260 2.038 1.956 2.172 . 0 0 "[ . 1 . 2]" 1
1592 1 99 ILE HA 1 99 ILE MG . . 3.130 2.320 2.246 2.394 . 0 0 "[ . 1 . 2]" 1
1593 1 58 MET H 1 68 MET ME . . 4.210 3.512 2.581 4.210 . 0 0 "[ . 1 . 2]" 1
1594 1 68 MET H 1 68 MET ME . . 4.620 3.886 3.220 4.565 . 0 0 "[ . 1 . 2]" 1
1595 1 68 MET ME 1 89 TYR QE . . 3.310 2.954 2.652 3.308 . 0 0 "[ . 1 . 2]" 1
1596 1 56 TYR QD 1 68 MET ME . . 3.630 3.130 2.671 3.621 . 0 0 "[ . 1 . 2]" 1
1597 1 56 TYR QE 1 68 MET ME . . 3.510 2.742 2.028 3.510 0.000 13 0 "[ . 1 . 2]" 1
1598 1 57 THR HA 1 68 MET ME . . 3.340 2.654 1.966 3.319 . 0 0 "[ . 1 . 2]" 1
1599 1 68 MET HA 1 68 MET ME . . 4.570 4.191 3.799 4.571 0.001 8 0 "[ . 1 . 2]" 1
1600 1 68 MET HB2 1 68 MET ME . . 3.390 2.387 1.962 2.934 . 0 0 "[ . 1 . 2]" 1
1601 1 52 TYR QB 1 95 ALA HA . . 4.770 3.503 3.312 3.696 . 0 0 "[ . 1 . 2]" 1
1602 1 102 GLY HA2 1 103 PRO HD2 . . 3.760 2.678 2.574 2.763 . 0 0 "[ . 1 . 2]" 1
1603 1 102 GLY HA3 1 103 PRO HD2 . . 3.870 2.355 2.275 2.452 . 0 0 "[ . 1 . 2]" 1
1604 1 102 GLY HA2 1 103 PRO HD3 . . 3.760 2.449 2.382 2.510 . 0 0 "[ . 1 . 2]" 1
1605 1 102 GLY HA3 1 103 PRO HD3 . . 3.870 3.242 3.158 3.340 . 0 0 "[ . 1 . 2]" 1
1606 1 58 MET H 1 58 MET ME . . 4.390 4.027 3.753 4.390 0.000 8 0 "[ . 1 . 2]" 1
1607 1 58 MET ME 1 89 TYR QE . . 3.500 3.138 2.768 3.472 . 0 0 "[ . 1 . 2]" 1
1608 1 58 MET HA 1 58 MET ME . . 4.530 4.087 3.987 4.283 . 0 0 "[ . 1 . 2]" 1
1609 1 111 ILE HB 1 111 ILE MD . . 3.110 2.027 1.998 2.236 . 0 0 "[ . 1 . 2]" 1
1610 1 63 HIS HE1 1 64 VAL MG2 . . 5.050 3.303 2.641 4.094 . 0 0 "[ . 1 . 2]" 1
1611 1 63 HIS HE1 1 65 ASN QB . . 4.290 4.063 3.639 4.310 0.020 10 0 "[ . 1 . 2]" 1
1612 1 63 HIS HE1 1 65 ASN H . . 4.290 3.858 3.482 4.232 . 0 0 "[ . 1 . 2]" 1
1613 1 16 GLN HB3 1 17 ALA MB . . 5.020 4.055 3.593 5.049 0.029 16 0 "[ . 1 . 2]" 1
1614 1 16 GLN HB2 1 17 ALA MB . . 5.020 4.689 3.724 5.149 0.129 20 0 "[ . 1 . 2]" 1
1615 1 17 ALA MB 1 100 GLY HA3 . . 4.330 2.330 2.210 2.550 . 0 0 "[ . 1 . 2]" 1
1616 1 17 ALA MB 1 18 PRO HD3 . . 3.750 3.180 3.158 3.189 . 0 0 "[ . 1 . 2]" 1
1617 1 17 ALA MB 1 100 GLY HA2 . . 4.330 3.562 3.491 3.704 . 0 0 "[ . 1 . 2]" 1
1618 1 16 GLN HA 1 17 ALA MB . . 4.530 4.206 4.085 4.268 . 0 0 "[ . 1 . 2]" 1
1619 1 17 ALA MB 1 97 THR HG1 . . 4.640 3.608 2.670 4.050 . 0 0 "[ . 1 . 2]" 1
1620 1 17 ALA MB 1 97 THR H . . 5.120 3.794 3.409 4.068 . 0 0 "[ . 1 . 2]" 1
1621 1 111 ILE HG12 1 111 ILE MG . . 3.130 2.083 2.004 2.178 . 0 0 "[ . 1 . 2]" 1
1622 1 111 ILE HG13 1 111 ILE MG . . 3.520 3.050 3.022 3.093 . 0 0 "[ . 1 . 2]" 1
1623 1 111 ILE MG 1 113 GLN HB2 . . 4.080 4.063 3.986 4.118 0.038 19 0 "[ . 1 . 2]" 1
1624 1 88 THR HA 1 111 ILE MG . . 3.950 3.585 3.482 3.746 . 0 0 "[ . 1 . 2]" 1
1625 1 111 ILE HA 1 111 ILE MG . . 3.240 2.332 2.301 2.421 . 0 0 "[ . 1 . 2]" 1
1626 1 111 ILE MG 1 113 GLN H . . 3.990 3.802 3.493 3.951 . 0 0 "[ . 1 . 2]" 1
1627 1 111 ILE H 1 111 ILE MG . . 3.920 3.780 3.765 3.788 . 0 0 "[ . 1 . 2]" 1
1628 1 58 MET ME 1 84 VAL MG1 . . 4.280 2.648 1.826 4.072 . 0 0 "[ . 1 . 2]" 1
1629 1 58 MET HB3 1 58 MET ME . . 3.210 2.111 1.962 2.447 . 0 0 "[ . 1 . 2]" 1
1630 1 58 MET HB2 1 58 MET ME . . 3.210 2.459 2.093 2.769 . 0 0 "[ . 1 . 2]" 1
1631 1 58 MET ME 1 58 MET QG . . 3.110 2.510 2.388 2.571 . 0 0 "[ . 1 . 2]" 1
1632 1 58 MET ME 1 83 LEU HA . . 5.500 4.728 4.257 5.174 . 0 0 "[ . 1 . 2]" 1
1633 1 58 MET ME 1 84 VAL HA . . 5.500 5.402 4.952 5.505 0.005 14 0 "[ . 1 . 2]" 1
1634 1 58 MET ME 1 84 VAL H . . 4.440 4.060 3.655 4.307 . 0 0 "[ . 1 . 2]" 1
1635 1 7 GLY QA 1 8 PRO QD . . 3.170 2.027 1.977 2.100 . 0 0 "[ . 1 . 2]" 1
1636 1 21 ALA MB 1 103 PRO HB3 . . 5.160 4.734 4.108 5.143 . 0 0 "[ . 1 . 2]" 1
1637 1 97 THR HG1 1 99 ILE MG . . 4.490 4.195 3.919 4.416 . 0 0 "[ . 1 . 2]" 1
1638 1 99 ILE MG 1 100 GLY HA2 . . 4.700 4.158 3.915 4.284 . 0 0 "[ . 1 . 2]" 1
1639 1 17 ALA MB 1 99 ILE MG . . 3.150 2.511 2.280 2.736 . 0 0 "[ . 1 . 2]" 1
1640 1 99 ILE HG13 1 99 ILE MG . . 3.390 2.315 2.249 2.394 . 0 0 "[ . 1 . 2]" 1
1641 1 18 PRO HD2 1 97 THR HG1 . . 4.910 3.714 2.746 4.407 . 0 0 "[ . 1 . 2]" 1
1642 1 18 PRO HD3 1 102 GLY H . . 5.330 5.311 5.230 5.339 0.009 15 0 "[ . 1 . 2]" 1
1643 1 42 PRO QD 1 52 TYR QD . . 4.840 4.312 3.968 4.634 . 0 0 "[ . 1 . 2]" 1
1644 1 42 PRO QD 1 52 TYR QE . . 4.780 2.498 2.156 2.883 . 0 0 "[ . 1 . 2]" 1
1645 1 73 ALA MB 1 74 ASP HB2 . . 4.630 4.442 4.055 4.582 . 0 0 "[ . 1 . 2]" 1
1646 1 51 GLY HA2 1 73 ALA MB . . 5.500 5.046 4.747 5.318 . 0 0 "[ . 1 . 2]" 1
1647 1 51 GLY HA3 1 73 ALA MB . . 5.500 4.937 4.531 5.318 . 0 0 "[ . 1 . 2]" 1
1648 1 17 ALA HA 1 18 PRO HG3 . . 4.790 4.528 4.526 4.530 . 0 0 "[ . 1 . 2]" 1
1649 1 16 GLN QG 1 17 ALA HA . . 5.230 5.087 4.606 5.270 0.040 20 0 "[ . 1 . 2]" 1
1650 1 17 ALA HA 1 18 PRO HG2 . . 5.500 4.587 4.584 4.589 . 0 0 "[ . 1 . 2]" 1
1651 1 84 VAL HB 1 85 PRO HD3 . . 5.170 4.612 4.571 4.809 . 0 0 "[ . 1 . 2]" 1
1652 1 84 VAL HB 1 85 PRO HD2 . . 4.910 3.672 3.504 3.869 . 0 0 "[ . 1 . 2]" 1
1653 1 33 THR HA 1 85 PRO HD3 . . 5.260 4.546 4.098 4.853 . 0 0 "[ . 1 . 2]" 1
1654 1 33 THR HB 1 85 PRO HD3 . . 5.500 4.975 4.801 5.268 . 0 0 "[ . 1 . 2]" 1
1655 1 84 VAL H 1 85 PRO HD3 . . 5.170 4.774 4.689 4.832 . 0 0 "[ . 1 . 2]" 1
1656 1 64 VAL MG2 1 67 TRP HE1 . . 5.500 4.801 4.245 5.511 0.011 4 0 "[ . 1 . 2]" 1
1657 1 72 VAL HA 1 73 ALA HA . . 4.670 4.421 4.399 4.528 . 0 0 "[ . 1 . 2]" 1
1658 1 73 ALA HA 1 74 ASP HA . . 4.660 4.621 4.540 4.666 0.006 3 0 "[ . 1 . 2]" 1
1659 1 64 VAL MG2 1 92 LYS HD2 . . 5.500 4.514 2.807 5.501 0.001 2 0 "[ . 1 . 2]" 1
1660 1 55 TYR HB2 1 64 VAL MG1 . . 5.500 3.707 3.089 4.778 . 0 0 "[ . 1 . 2]" 1
1661 1 64 VAL MG1 1 65 ASN QB . . 5.500 4.696 3.484 5.490 . 0 0 "[ . 1 . 2]" 1
1662 1 55 TYR QD 1 64 VAL MG1 . . 4.980 2.988 2.219 4.155 . 0 0 "[ . 1 . 2]" 1
1663 1 35 ILE MD 1 110 VAL MG2 . . 4.430 4.347 3.951 4.438 0.008 18 0 "[ . 1 . 2]" 1
1664 1 35 ILE MG 1 110 VAL MG2 . . 3.560 3.439 3.101 3.571 0.011 12 0 "[ . 1 . 2]" 1
1665 1 27 ALA MB 1 110 VAL MG2 . . 3.070 2.696 2.386 2.949 . 0 0 "[ . 1 . 2]" 1
1666 1 35 ILE HB 1 110 VAL MG2 . . 4.770 4.453 4.143 4.730 . 0 0 "[ . 1 . 2]" 1
1667 1 28 ARG H 1 110 VAL MG2 . . 5.500 4.785 4.431 5.057 . 0 0 "[ . 1 . 2]" 1
1668 1 56 TYR QD 1 91 VAL MG2 . . 5.000 4.429 4.219 4.937 . 0 0 "[ . 1 . 2]" 1
1669 1 89 TYR QD 1 91 VAL MG2 . . 4.840 4.363 3.791 4.589 . 0 0 "[ . 1 . 2]" 1
1670 1 57 THR H 1 91 VAL MG2 . . 4.740 4.730 4.654 4.748 0.008 5 0 "[ . 1 . 2]" 1
1671 1 91 VAL MG2 1 109 GLN H . . 5.500 5.456 5.175 5.505 0.005 5 0 "[ . 1 . 2]" 1
1672 1 91 VAL MG2 1 110 VAL H . . 4.740 3.683 3.304 4.280 . 0 0 "[ . 1 . 2]" 1
1673 1 33 THR HA 1 83 LEU MD2 . . 5.500 5.489 5.377 5.506 0.006 17 0 "[ . 1 . 2]" 1
1674 1 56 TYR HB2 1 91 VAL MG1 . . 4.510 4.400 4.149 4.513 0.003 13 0 "[ . 1 . 2]" 1
1675 1 55 TYR H 1 91 VAL MG1 . . 4.490 4.001 3.623 4.388 . 0 0 "[ . 1 . 2]" 1
1676 1 33 THR H 1 34 THR MG . . 5.370 4.868 4.812 4.995 . 0 0 "[ . 1 . 2]" 1
1677 1 84 VAL MG1 1 87 LYS HB2 . . 4.260 2.366 1.968 4.125 . 0 0 "[ . 1 . 2]" 1
1678 1 33 THR HA 1 34 THR MG . . 5.500 5.469 5.405 5.527 0.027 14 0 "[ . 1 . 2]" 1
1679 1 33 THR HB 1 34 THR MG . . 5.500 5.153 4.886 5.304 . 0 0 "[ . 1 . 2]" 1
1680 1 40 LYS HA 1 41 GLU QG . . 5.500 4.637 4.362 4.766 . 0 0 "[ . 1 . 2]" 1
1681 1 22 PRO HG3 1 93 VAL MG1 . . 5.130 2.372 1.980 2.784 . 0 0 "[ . 1 . 2]" 1
1682 1 52 TYR QB 1 93 VAL MG1 . . 4.720 2.700 2.462 2.945 . 0 0 "[ . 1 . 2]" 1
1683 1 74 ASP HA 1 76 GLN HA . . 5.500 5.269 5.184 5.400 . 0 0 "[ . 1 . 2]" 1
1684 1 75 SER HA 1 76 GLN HA . . 5.500 5.268 5.232 5.309 . 0 0 "[ . 1 . 2]" 1
1685 1 39 TRP HD1 1 76 GLN HA . . 4.900 3.978 3.734 4.134 . 0 0 "[ . 1 . 2]" 1
1686 1 76 GLN HA 1 76 GLN HE21 . . 5.450 4.539 4.278 4.770 . 0 0 "[ . 1 . 2]" 1
1687 1 83 LEU HA 1 89 TYR QE . . 4.770 4.259 3.689 4.526 . 0 0 "[ . 1 . 2]" 1
1688 1 83 LEU HB3 1 89 TYR QE . . 4.320 2.990 2.553 3.425 . 0 0 "[ . 1 . 2]" 1
1689 1 56 TYR HB2 1 89 TYR QE . . 5.230 4.590 3.712 5.129 . 0 0 "[ . 1 . 2]" 1
1690 1 30 LEU MD2 1 36 LEU HB3 . . 5.270 3.489 3.080 3.932 . 0 0 "[ . 1 . 2]" 1
1691 1 30 LEU MD2 1 36 LEU H . . 5.140 4.811 4.490 5.161 0.021 19 0 "[ . 1 . 2]" 1
1692 1 54 VAL MG1 1 93 VAL HA . . 4.680 3.760 3.517 3.958 . 0 0 "[ . 1 . 2]" 1
1693 1 104 LEU HA 1 104 LEU MD1 . . 4.410 3.809 3.747 3.917 . 0 0 "[ . 1 . 2]" 1
1694 1 39 TRP H 1 39 TRP HE3 . . 5.010 3.129 2.503 3.597 . 0 0 "[ . 1 . 2]" 1
1695 1 50 GLN HA 1 50 GLN HG2 . . 3.600 3.043 2.784 3.224 . 0 0 "[ . 1 . 2]" 1
1696 1 113 GLN HA 1 114 THR MG . . 4.930 4.059 3.245 4.985 0.055 14 0 "[ . 1 . 2]" 1
1697 1 32 SER QB 1 113 GLN HA . . 5.500 5.310 4.906 5.502 0.002 16 0 "[ . 1 . 2]" 1
1698 1 86 GLN H 1 113 GLN HA . . 4.600 3.823 3.692 4.042 . 0 0 "[ . 1 . 2]" 1
1699 1 56 TYR QD 1 69 LYS HA . . 4.670 3.847 3.586 4.180 . 0 0 "[ . 1 . 2]" 1
1700 1 52 TYR QE 1 74 ASP HA . . 4.630 2.102 1.998 2.384 . 0 0 "[ . 1 . 2]" 1
1701 1 18 PRO HG2 1 96 PHE HA . . 4.900 2.662 2.483 2.862 . 0 0 "[ . 1 . 2]" 1
1702 1 55 TYR QD 1 69 LYS HG2 . . 4.930 2.358 1.996 3.100 . 0 0 "[ . 1 . 2]" 1
1703 1 11 THR MG 1 12 GLN HA . . 5.500 4.580 3.759 5.465 . 0 0 "[ . 1 . 2]" 1
1704 1 12 GLN HA 1 13 THR MG . . 5.500 4.779 3.837 5.466 . 0 0 "[ . 1 . 2]" 1
1705 1 55 TYR HA 1 67 TRP HE3 . . 4.840 3.501 3.304 4.516 . 0 0 "[ . 1 . 2]" 1
1706 1 55 TYR HA 1 69 LYS HG2 . . 4.920 3.553 3.312 3.995 . 0 0 "[ . 1 . 2]" 1
1707 1 51 GLY H 1 95 ALA MB . . 5.500 5.453 5.267 5.512 0.012 8 0 "[ . 1 . 2]" 1
1708 1 95 ALA MB 1 96 PHE QD . . 5.500 4.777 4.699 4.846 . 0 0 "[ . 1 . 2]" 1
1709 1 67 TRP HZ3 1 92 LYS HG3 . . 4.780 2.546 2.083 3.068 . 0 0 "[ . 1 . 2]" 1
1710 1 67 TRP HH2 1 92 LYS HG2 . . 5.470 4.713 3.957 5.472 0.002 15 0 "[ . 1 . 2]" 1
1711 1 67 TRP HH2 1 92 LYS HG3 . . 5.470 3.812 3.055 4.591 . 0 0 "[ . 1 . 2]" 1
1712 1 58 MET ME 1 87 LYS HG2 . . 5.500 5.327 4.783 5.501 0.001 5 0 "[ . 1 . 2]" 1
1713 1 85 PRO HG2 1 87 LYS HG2 . . 5.500 5.244 4.982 5.502 0.002 19 0 "[ . 1 . 2]" 1
1714 1 58 MET ME 1 87 LYS HG3 . . 5.050 3.883 3.362 4.089 . 0 0 "[ . 1 . 2]" 1
1715 1 29 MET HA 1 31 SER H . . 4.120 3.809 3.718 3.943 . 0 0 "[ . 1 . 2]" 1
1716 1 15 GLU HA 1 99 ILE HG13 . . 5.010 4.706 4.448 4.990 . 0 0 "[ . 1 . 2]" 1
1717 1 15 GLU HA 1 99 ILE MD . . 5.090 4.894 4.552 5.054 . 0 0 "[ . 1 . 2]" 1
1718 1 67 TRP HE3 1 68 MET H . . 5.500 4.572 4.330 4.760 . 0 0 "[ . 1 . 2]" 1
1719 1 86 GLN HA 1 111 ILE HG12 . . 5.500 5.504 5.490 5.521 0.021 19 0 "[ . 1 . 2]" 1
1720 1 39 TRP HA 1 39 TRP HE3 . . 4.730 4.233 3.997 4.413 . 0 0 "[ . 1 . 2]" 1
1721 1 35 ILE HG13 1 80 ILE H . . 5.130 2.376 2.251 2.563 . 0 0 "[ . 1 . 2]" 1
1722 1 35 ILE HG12 1 80 ILE H . . 5.130 3.227 3.107 3.435 . 0 0 "[ . 1 . 2]" 1
1723 1 75 SER HA 1 77 ILE MG . . 4.860 3.881 3.804 3.949 . 0 0 "[ . 1 . 2]" 1
1724 1 19 SER HA 1 103 PRO HG2 . . 4.770 4.167 4.037 4.397 . 0 0 "[ . 1 . 2]" 1
1725 1 57 THR MG 1 89 TYR HA . . 5.430 5.336 4.940 5.437 0.007 10 0 "[ . 1 . 2]" 1
1726 1 89 TYR HA 1 91 VAL MG2 . . 5.500 5.040 4.981 5.135 . 0 0 "[ . 1 . 2]" 1
1727 1 88 THR MG 1 89 TYR HA . . 5.060 3.639 3.495 3.856 . 0 0 "[ . 1 . 2]" 1
1728 1 58 MET HB3 1 89 TYR HA . . 5.440 4.890 4.461 5.134 . 0 0 "[ . 1 . 2]" 1
1729 1 89 TYR HA 1 90 SER HA . . 5.080 4.363 4.354 4.376 . 0 0 "[ . 1 . 2]" 1
1730 1 24 ASP HB2 1 40 LYS HG3 . . 4.890 3.094 2.400 3.686 . 0 0 "[ . 1 . 2]" 1
1731 1 40 LYS HG2 1 41 GLU H . . 4.660 3.510 3.000 4.502 . 0 0 "[ . 1 . 2]" 1
1732 1 67 TRP HA 1 68 MET QG . . 5.500 5.069 4.212 5.225 . 0 0 "[ . 1 . 2]" 1
1733 1 92 LYS HB3 1 104 LEU MD1 . . 4.550 4.152 3.104 4.549 . 0 0 "[ . 1 . 2]" 1
1734 1 90 SER HA 1 109 GLN H . . 5.240 5.072 4.741 5.240 . 1 0 "[ . 1 . 2]" 1
1735 1 14 SER HA 1 15 GLU HB2 . . 4.990 4.722 4.430 4.949 . 0 0 "[ . 1 . 2]" 1
1736 1 35 ILE MG 1 83 LEU HG . . 4.830 4.428 4.199 4.726 . 0 0 "[ . 1 . 2]" 1
1737 1 59 ASP HA 1 60 PRO HG2 . . 4.830 4.178 4.159 4.191 . 0 0 "[ . 1 . 2]" 1
1738 1 59 ASP HA 1 60 PRO HG3 . . 4.830 4.600 4.561 4.626 . 0 0 "[ . 1 . 2]" 1
1739 1 30 LEU HG 1 35 ILE HA . . 5.500 3.569 3.317 4.253 . 0 0 "[ . 1 . 2]" 1
1740 1 21 ALA H 1 103 PRO HG2 . . 4.660 2.934 2.521 3.261 . 0 0 "[ . 1 . 2]" 1
1741 1 38 GLN QG 1 77 ILE HA . . 5.360 5.145 4.898 5.363 0.003 12 0 "[ . 1 . 2]" 1
1742 1 94 LEU MD2 1 104 LEU H . . 5.500 4.487 4.077 4.882 . 0 0 "[ . 1 . 2]" 1
1743 1 94 LEU H 1 94 LEU MD2 . . 4.640 3.716 3.633 3.793 . 0 0 "[ . 1 . 2]" 1
1744 1 94 LEU MD2 1 102 GLY H . . 4.720 4.173 3.993 4.396 . 0 0 "[ . 1 . 2]" 1
1745 1 17 ALA H 1 99 ILE HG13 . . 5.500 3.615 3.289 3.862 . 0 0 "[ . 1 . 2]" 1
1746 1 96 PHE HB2 1 97 THR HA . . 5.020 4.698 4.632 4.748 . 0 0 "[ . 1 . 2]" 1
1747 1 38 GLN HA 1 77 ILE HG12 . . 5.210 4.513 4.321 4.683 . 0 0 "[ . 1 . 2]" 1
1748 1 38 GLN HB2 1 77 ILE HG12 . . 5.500 5.276 4.772 5.502 0.002 2 0 "[ . 1 . 2]" 1
1749 1 38 GLN HB3 1 77 ILE HG12 . . 4.640 4.064 3.570 4.350 . 0 0 "[ . 1 . 2]" 1
1750 1 112 THR HA 1 113 GLN QG . . 4.920 4.267 3.958 4.361 . 0 0 "[ . 1 . 2]" 1
1751 1 86 GLN H 1 112 THR HA . . 5.000 4.623 4.409 4.740 . 0 0 "[ . 1 . 2]" 1
1752 1 88 THR HA 1 111 ILE HG13 . . 4.500 3.111 2.981 3.179 . 0 0 "[ . 1 . 2]" 1
1753 1 35 ILE H 1 79 THR HA . . 4.890 4.814 4.527 4.913 0.023 17 0 "[ . 1 . 2]" 1
1754 1 36 LEU HG 1 79 THR HA . . 5.500 4.618 3.450 5.505 0.005 17 0 "[ . 1 . 2]" 1
1755 1 27 ALA MB 1 110 VAL HA . . 4.760 4.701 4.419 4.764 0.004 12 0 "[ . 1 . 2]" 1
1756 1 39 TRP HD1 1 76 GLN HG2 . . 4.850 3.011 2.619 3.372 . 0 0 "[ . 1 . 2]" 1
1757 1 39 TRP HD1 1 40 LYS HA . . 5.240 3.885 3.623 4.237 . 0 0 "[ . 1 . 2]" 1
1758 1 53 ARG HG2 1 54 VAL H . . 4.830 3.950 3.055 4.595 . 0 0 "[ . 1 . 2]" 1
1759 1 53 ARG HG3 1 54 VAL H . . 4.830 4.253 2.674 4.833 0.003 3 0 "[ . 1 . 2]" 1
1760 1 56 TYR H 1 67 TRP HB2 . . 5.100 4.442 4.176 4.750 . 0 0 "[ . 1 . 2]" 1
1761 1 55 TYR HB3 1 67 TRP HB3 . . 5.050 3.618 3.175 3.846 . 0 0 "[ . 1 . 2]" 1
1762 1 55 TYR HB3 1 67 TRP HB2 . . 5.140 3.284 2.858 3.751 . 0 0 "[ . 1 . 2]" 1
1763 1 33 THR MG 1 84 VAL HA . . 4.060 3.108 2.862 3.583 . 0 0 "[ . 1 . 2]" 1
1764 1 37 VAL HA 1 38 GLN QG . . 4.800 3.812 3.633 4.086 . 0 0 "[ . 1 . 2]" 1
1765 1 60 PRO HB3 1 67 TRP HH2 . . 4.990 3.353 3.105 3.711 . 0 0 "[ . 1 . 2]" 1
1766 1 80 ILE HA 1 81 GLY HA2 . . 4.930 4.432 4.410 4.445 . 0 0 "[ . 1 . 2]" 1
1767 1 41 GLU HB2 1 42 PRO QD . . 4.190 3.583 3.489 3.769 . 0 0 "[ . 1 . 2]" 1
1768 1 91 VAL HA 1 92 LYS HB2 . . 5.430 4.611 4.330 4.733 . 0 0 "[ . 1 . 2]" 1
1769 1 91 VAL HA 1 108 ILE HG13 . . 5.500 4.553 4.359 4.764 . 0 0 "[ . 1 . 2]" 1
1770 1 49 ILE HA 1 50 GLN HG2 . . 4.700 3.747 3.631 4.006 . 0 0 "[ . 1 . 2]" 1
1771 1 55 TYR QE 1 69 LYS HD2 . . 5.180 3.910 3.032 4.856 . 0 0 "[ . 1 . 2]" 1
1772 1 69 LYS H 1 69 LYS HD2 . . 5.420 5.066 4.297 5.328 . 0 0 "[ . 1 . 2]" 1
1773 1 69 LYS H 1 69 LYS HD3 . . 5.420 5.096 3.982 5.444 0.024 8 0 "[ . 1 . 2]" 1
1774 1 103 PRO HA 1 104 LEU HG . . 4.760 4.184 3.852 4.737 . 0 0 "[ . 1 . 2]" 1
1775 1 42 PRO HA 1 44 GLU H . . 4.910 4.156 3.998 4.207 . 0 0 "[ . 1 . 2]" 1
1776 1 67 TRP HZ3 1 92 LYS HD3 . . 4.680 3.465 2.934 3.972 . 0 0 "[ . 1 . 2]" 1
1777 1 64 VAL MG1 1 67 TRP HD1 . . 5.500 4.930 4.533 5.180 . 0 0 "[ . 1 . 2]" 1
1778 1 64 VAL MG2 1 67 TRP HD1 . . 5.500 5.314 5.037 5.528 0.028 4 0 "[ . 1 . 2]" 1
1779 1 88 THR HA 1 89 TYR QD . . 5.010 4.359 4.154 4.591 . 0 0 "[ . 1 . 2]" 1
1780 1 98 SER QB 1 99 ILE MD . . 4.870 3.584 3.205 4.289 . 0 0 "[ . 1 . 2]" 1
1781 1 50 GLN HG3 1 98 SER QB . . 4.600 3.210 2.743 3.856 . 0 0 "[ . 1 . 2]" 1
1782 1 25 VAL HB 1 26 GLN H . . 4.790 4.273 3.955 4.451 . 0 0 "[ . 1 . 2]" 1
1783 1 86 GLN HA 1 113 GLN HB2 . . 5.500 5.357 4.957 5.505 0.005 20 0 "[ . 1 . 2]" 1
1784 1 86 GLN HA 1 113 GLN HB3 . . 4.740 4.041 3.382 4.331 . 0 0 "[ . 1 . 2]" 1
1785 1 25 VAL HB 1 93 VAL HB . . 4.900 4.675 4.058 4.904 0.004 17 0 "[ . 1 . 2]" 1
1786 1 62 GLN HB3 1 67 TRP HE1 . . 4.570 4.464 4.116 4.596 0.026 4 0 "[ . 1 . 2]" 1
1787 1 19 SER HB2 1 46 ASN HD21 . . 4.870 3.808 2.722 4.878 0.008 13 0 "[ . 1 . 2]" 1
1788 1 19 SER HB2 1 20 SER H . . 4.980 4.546 4.078 4.615 . 0 0 "[ . 1 . 2]" 1
1789 1 19 SER HB3 1 20 SER H . . 4.980 4.244 4.040 4.648 . 0 0 "[ . 1 . 2]" 1
1790 1 19 SER HB2 1 103 PRO HG3 . . 5.500 5.361 4.357 5.511 0.011 20 0 "[ . 1 . 2]" 1
1791 1 19 SER HB3 1 103 PRO HG3 . . 5.500 5.444 4.324 5.510 0.010 16 0 "[ . 1 . 2]" 1
1792 1 29 MET HG2 1 31 SER H . . 5.500 5.291 4.337 5.618 0.118 19 0 "[ . 1 . 2]" 1
1793 1 60 PRO HB2 1 90 SER HB3 . . 5.500 4.759 4.071 5.475 . 0 0 "[ . 1 . 2]" 1
1794 1 60 PRO HB2 1 67 TRP HH2 . . 4.920 3.939 3.479 4.466 . 0 0 "[ . 1 . 2]" 1
1795 1 21 ALA MB 1 22 PRO HA . . 5.150 4.418 4.395 4.428 . 0 0 "[ . 1 . 2]" 1
1796 1 22 PRO HA 1 95 ALA MB . . 5.470 4.300 3.964 4.577 . 0 0 "[ . 1 . 2]" 1
1797 1 45 PRO QB 1 46 ASN H . . 2.700 2.690 2.663 2.723 0.023 15 0 "[ . 1 . 2]" 1
1798 1 17 ALA MB 1 18 PRO HB2 . . 5.500 4.944 4.929 4.985 . 0 0 "[ . 1 . 2]" 1
1799 1 18 PRO HB2 1 97 THR MG . . 5.500 4.342 4.213 4.590 . 0 0 "[ . 1 . 2]" 1
1800 1 64 VAL HA 1 67 TRP HB2 . . 4.810 3.352 2.819 4.174 . 0 0 "[ . 1 . 2]" 1
1801 1 113 GLN QG 1 115 GLY H . . 5.430 3.608 2.290 4.907 . 0 0 "[ . 1 . 2]" 1
1802 1 51 GLY H 1 96 PHE HZ . . 5.490 4.276 3.973 4.532 . 0 0 "[ . 1 . 2]" 1
1803 1 48 GLN H 1 48 GLN HG2 . . 4.600 4.377 2.406 4.602 0.002 14 0 "[ . 1 . 2]" 1
1804 1 67 TRP HZ3 1 90 SER HB2 . . 4.760 3.552 2.071 4.738 . 0 0 "[ . 1 . 2]" 1
1805 1 20 SER HB2 1 44 GLU HB2 . . 5.000 2.512 2.003 3.827 . 0 0 "[ . 1 . 2]" 1
1806 1 20 SER HB3 1 44 GLU HB2 . . 5.000 3.132 2.029 4.316 . 0 0 "[ . 1 . 2]" 1
1807 1 20 SER HB3 1 44 GLU HB3 . . 5.000 4.362 2.714 5.002 0.002 8 0 "[ . 1 . 2]" 1
1808 1 26 GLN H 1 38 GLN QG . . 5.080 3.298 2.907 3.668 . 0 0 "[ . 1 . 2]" 1
1809 1 36 LEU HG 1 38 GLN HB3 . . 4.820 4.178 3.451 4.829 0.009 17 0 "[ . 1 . 2]" 1
1810 1 37 VAL HB 1 39 TRP HE3 . . 4.850 3.915 3.676 4.160 . 0 0 "[ . 1 . 2]" 1
1811 1 39 TRP HD1 1 76 GLN HG3 . . 4.770 4.081 3.862 4.456 . 0 0 "[ . 1 . 2]" 1
1812 1 39 TRP HH2 1 72 VAL HB . . 4.650 4.567 4.231 4.654 0.004 4 0 "[ . 1 . 2]" 1
1813 1 39 TRP HZ2 1 72 VAL HB . . 4.700 3.883 3.619 4.161 . 0 0 "[ . 1 . 2]" 1
1814 1 41 GLU QG 1 49 ILE MD . . 4.390 4.051 3.769 4.391 0.001 16 0 "[ . 1 . 2]" 1
1815 1 41 GLU QG 1 49 ILE HG13 . . 4.090 2.921 2.511 3.565 . 0 0 "[ . 1 . 2]" 1
1816 1 40 LYS HB3 1 41 GLU QG . . 5.500 5.319 5.052 5.503 0.003 15 0 "[ . 1 . 2]" 1
1817 1 41 GLU QG 1 45 PRO QB . . 5.500 4.736 4.353 5.132 . 0 0 "[ . 1 . 2]" 1
1818 1 41 GLU QG 1 42 PRO QD . . 3.630 2.083 1.961 2.418 . 0 0 "[ . 1 . 2]" 1
1819 1 41 GLU HA 1 41 GLU QG . . 3.620 2.187 2.076 2.252 . 0 0 "[ . 1 . 2]" 1
1820 1 87 LYS HB2 1 89 TYR QD . . 5.500 3.506 3.416 3.746 . 0 0 "[ . 1 . 2]" 1
1821 1 88 THR HB 1 89 TYR H . . 4.760 4.019 3.743 4.227 . 0 0 "[ . 1 . 2]" 1
1822 1 50 GLN HB3 1 96 PHE QD . . 5.500 5.280 4.611 5.502 0.002 20 0 "[ . 1 . 2]" 1
1823 1 56 TYR QD 1 68 MET HB2 . . 4.910 4.336 3.985 4.585 . 0 0 "[ . 1 . 2]" 1
1824 1 56 TYR QD 1 91 VAL MG1 . . 5.490 4.562 4.254 4.866 . 0 0 "[ . 1 . 2]" 1
1825 1 61 THR HB 1 62 GLN H . . 4.970 4.155 3.997 4.274 . 0 0 "[ . 1 . 2]" 1
1826 1 53 ARG QB 1 55 TYR QD . . 4.970 3.970 3.468 4.541 . 0 0 "[ . 1 . 2]" 1
1827 1 55 TYR QD 1 92 LYS HB3 . . 4.970 3.670 2.816 4.587 . 0 0 "[ . 1 . 2]" 1
1828 1 55 TYR QD 1 92 LYS H . . 5.500 4.253 3.850 4.630 . 0 0 "[ . 1 . 2]" 1
1829 1 55 TYR QD 1 67 TRP H . . 5.500 4.532 3.946 5.122 . 0 0 "[ . 1 . 2]" 1
1830 1 55 TYR QD 1 69 LYS H . . 5.500 4.520 4.143 5.575 0.075 8 0 "[ . 1 . 2]" 1
1831 1 92 LYS HB2 1 92 LYS QE . . 4.680 3.307 2.824 4.267 . 0 0 "[ . 1 . 2]" 1
1832 1 55 TYR HB2 1 92 LYS HB3 . . 5.240 3.714 3.451 4.044 . 0 0 "[ . 1 . 2]" 1
1833 1 92 LYS HB2 1 93 VAL H . . 4.840 3.889 3.479 4.204 . 0 0 "[ . 1 . 2]" 1
1834 1 36 LEU HA 1 79 THR HB . . 4.820 4.180 3.925 4.496 . 0 0 "[ . 1 . 2]" 1
1835 1 73 ALA MB 1 74 ASP HB3 . . 4.630 4.248 4.090 4.381 . 0 0 "[ . 1 . 2]" 1
1836 1 35 ILE H 1 80 ILE HB . . 4.760 3.843 3.559 4.084 . 0 0 "[ . 1 . 2]" 1
1837 1 62 GLN HB2 1 66 ASN HB2 . . 4.880 3.807 3.058 4.554 . 0 0 "[ . 1 . 2]" 1
1838 1 83 LEU HB2 1 89 TYR QE . . 5.090 4.254 3.742 4.843 . 0 0 "[ . 1 . 2]" 1
1839 1 92 LYS QE 1 104 LEU H . . 5.500 5.491 5.267 5.513 0.013 3 0 "[ . 1 . 2]" 1
1840 1 67 TRP HZ3 1 92 LYS QE . . 4.890 4.804 4.336 4.899 0.009 3 0 "[ . 1 . 2]" 1
1841 1 99 ILE MD 1 99 ILE MG . . 2.870 2.024 1.933 2.120 . 0 0 "[ . 1 . 2]" 1
1842 1 17 ALA H 1 99 ILE MD . . 5.500 4.558 4.260 4.922 . 0 0 "[ . 1 . 2]" 1
1843 1 97 THR HG1 1 99 ILE MD . . 4.880 4.528 3.979 4.884 0.004 8 0 "[ . 1 . 2]" 1
1844 1 76 GLN H 1 77 ILE HB . . 5.500 5.510 5.501 5.522 0.022 19 0 "[ . 1 . 2]" 1
1845 1 81 GLY HA2 1 82 ASN HA . . 4.790 4.746 4.717 4.791 0.001 17 0 "[ . 1 . 2]" 1
1846 1 81 GLY HA3 1 82 ASN HA . . 4.790 4.517 4.481 4.540 . 0 0 "[ . 1 . 2]" 1
1847 1 41 GLU HA 1 49 ILE MD . . 5.340 5.178 4.931 5.337 . 0 0 "[ . 1 . 2]" 1
1848 1 47 GLY HA2 1 48 GLN QB . . 4.910 4.235 4.108 4.359 . 0 0 "[ . 1 . 2]" 1
1849 1 47 GLY HA3 1 48 GLN QB . . 4.910 4.550 4.430 4.709 . 0 0 "[ . 1 . 2]" 1
1850 1 15 GLU HB3 1 47 GLY HA3 . . 4.870 2.768 2.505 3.285 . 0 0 "[ . 1 . 2]" 1
1851 1 15 GLU HA 1 47 GLY HA3 . . 4.880 4.516 4.336 4.685 . 0 0 "[ . 1 . 2]" 1
1852 1 92 LYS HD3 1 104 LEU HB2 . . 5.500 5.444 4.558 5.505 0.005 16 0 "[ . 1 . 2]" 1
1853 1 92 LYS HD3 1 104 LEU HB3 . . 5.080 4.578 3.893 4.799 . 0 0 "[ . 1 . 2]" 1
1854 1 92 LYS HB3 1 104 LEU HB2 . . 5.260 4.707 4.260 5.086 . 0 0 "[ . 1 . 2]" 1
1855 1 117 GLY QA 1 118 PRO QG . . 5.410 3.753 3.685 4.004 . 0 0 "[ . 1 . 2]" 1
1856 1 17 ALA MB 1 102 GLY HA2 . . 4.560 3.931 3.719 4.335 . 0 0 "[ . 1 . 2]" 1
1857 1 18 PRO HB3 1 102 GLY HA2 . . 5.500 5.435 5.316 5.507 0.007 16 0 "[ . 1 . 2]" 1
1858 1 17 ALA MB 1 102 GLY HA3 . . 5.230 4.699 4.523 5.126 . 0 0 "[ . 1 . 2]" 1
1859 1 51 GLY HA3 1 96 PHE HZ . . 4.740 2.918 2.582 3.075 . 0 0 "[ . 1 . 2]" 1
1860 1 51 GLY HA3 1 96 PHE QE . . 4.720 3.388 3.233 3.537 . 0 0 "[ . 1 . 2]" 1
1861 1 49 ILE MG 1 51 GLY HA2 . . 4.970 3.229 3.001 3.534 . 0 0 "[ . 1 . 2]" 1
1862 1 99 ILE MG 1 100 GLY HA3 . . 4.700 3.397 3.189 3.526 . 0 0 "[ . 1 . 2]" 1
1863 1 100 GLY HA2 1 101 ASP HB3 . . 5.280 4.764 4.691 4.841 . 0 0 "[ . 1 . 2]" 1
1864 1 100 GLY HA3 1 101 ASP HB3 . . 5.280 5.132 5.001 5.214 . 0 0 "[ . 1 . 2]" 1
1865 1 114 THR MG 1 115 GLY QA . . 5.210 4.799 3.586 5.195 . 0 0 "[ . 1 . 2]" 1
1866 1 113 GLN QG 1 115 GLY QA . . 4.970 3.791 2.490 4.898 . 0 0 "[ . 1 . 2]" 1
1867 1 37 VAL HB 1 80 ILE MD . . 4.640 4.285 3.894 4.559 . 0 0 "[ . 1 . 2]" 1
1868 1 70 HIS H 1 80 ILE MD . . 5.500 5.509 5.503 5.540 0.040 8 0 "[ . 1 . 2]" 1
1869 1 38 GLN HE22 1 77 ILE MD . . 4.700 3.827 2.885 4.370 . 0 0 "[ . 1 . 2]" 1
1870 1 77 ILE H 1 77 ILE MD . . 5.120 4.968 4.952 4.985 . 0 0 "[ . 1 . 2]" 1
1871 1 91 VAL H 1 108 ILE MD . . 4.740 4.482 3.981 4.736 . 0 0 "[ . 1 . 2]" 1
1872 1 27 ALA HA 1 108 ILE MD . . 4.780 4.630 4.139 4.783 0.003 15 0 "[ . 1 . 2]" 1
1873 1 108 ILE MD 1 108 ILE MG . . 2.840 2.191 2.004 2.360 . 0 0 "[ . 1 . 2]" 1
1874 1 57 THR MG 1 67 TRP HZ3 . . 4.810 3.928 3.806 4.116 . 0 0 "[ . 1 . 2]" 1
1875 1 57 THR MG 1 67 TRP HE3 . . 4.640 3.127 3.025 3.279 . 0 0 "[ . 1 . 2]" 1
1876 1 80 ILE MG 1 81 GLY HA3 . . 4.720 4.041 3.997 4.149 . 0 0 "[ . 1 . 2]" 1
1877 1 80 ILE MG 1 83 LEU HA . . 5.300 5.180 4.954 5.301 0.001 17 0 "[ . 1 . 2]" 1
1878 1 80 ILE MG 1 81 GLY HA2 . . 4.720 3.352 3.292 3.543 . 0 0 "[ . 1 . 2]" 1
1879 1 29 MET HG2 1 35 ILE MG . . 4.660 2.381 2.005 3.791 . 0 0 "[ . 1 . 2]" 1
1880 1 34 THR HA 1 35 ILE MG . . 4.700 3.710 3.660 3.730 . 0 0 "[ . 1 . 2]" 1
1881 1 29 MET ME 1 29 MET HG2 . . 3.310 3.016 2.225 3.109 . 0 0 "[ . 1 . 2]" 1
1882 1 29 MET ME 1 29 MET HG3 . . 3.310 2.198 2.072 3.379 0.069 19 0 "[ . 1 . 2]" 1
1883 1 16 GLN QG 1 17 ALA MB . . 4.690 4.236 3.996 4.701 0.011 14 0 "[ . 1 . 2]" 1
1884 1 16 GLN QG 1 99 ILE HG13 . . 5.080 4.183 3.839 4.600 . 0 0 "[ . 1 . 2]" 1
1885 1 22 PRO HB2 1 39 TRP HD1 . . 5.020 3.437 3.122 3.923 . 0 0 "[ . 1 . 2]" 1
1886 1 41 GLU HA 1 42 PRO QD . . 3.250 2.125 2.046 2.152 . 0 0 "[ . 1 . 2]" 1
1887 1 39 TRP HD1 1 41 GLU HA . . 4.320 3.907 3.799 4.041 . 0 0 "[ . 1 . 2]" 1
1888 1 55 TYR QE 1 69 LYS HG2 . . 4.880 3.093 2.448 3.800 . 0 0 "[ . 1 . 2]" 1
1889 1 57 THR MG 1 59 ASP HA . . 4.740 3.989 3.872 4.224 . 0 0 "[ . 1 . 2]" 1
1890 1 57 THR MG 1 67 TRP HH2 . . 5.090 4.249 4.109 4.423 . 0 0 "[ . 1 . 2]" 1
1891 1 35 ILE MG 1 80 ILE MD . . 4.920 4.886 4.732 4.946 0.026 8 0 "[ . 1 . 2]" 1
1892 1 75 SER HB3 1 77 ILE MG . . 4.480 2.352 2.140 2.745 . 0 0 "[ . 1 . 2]" 1
1893 1 38 GLN HB2 1 77 ILE MG . . 5.260 5.054 4.519 5.263 0.003 6 0 "[ . 1 . 2]" 1
1894 1 35 ILE MG 1 110 VAL MG1 . . 3.560 3.197 3.003 3.437 . 0 0 "[ . 1 . 2]" 1
1895 1 35 ILE MD 1 110 VAL MG1 . . 4.430 3.032 2.809 3.193 . 0 0 "[ . 1 . 2]" 1
1896 1 27 ALA MB 1 110 VAL MG1 . . 3.070 2.238 2.050 2.404 . 0 0 "[ . 1 . 2]" 1
1897 1 27 ALA MB 1 35 ILE MG . . 4.290 3.980 3.670 4.304 0.014 19 0 "[ . 1 . 2]" 1
1898 1 29 MET ME 1 112 THR MG . . 3.220 1.984 1.867 2.100 . 0 0 "[ . 1 . 2]" 1
1899 1 29 MET ME 1 114 THR MG . . 3.860 3.544 2.904 3.865 0.005 7 0 "[ . 1 . 2]" 1
1900 1 8 PRO QB 1 9 VAL H . . 3.920 3.038 2.156 3.866 . 0 0 "[ . 1 . 2]" 1
1901 1 9 VAL H 1 9 VAL QG . . 3.520 2.217 1.916 2.924 . 0 0 "[ . 1 . 2]" 1
1902 1 9 VAL QG 1 10 LEU H . . 4.430 2.813 1.967 3.471 . 0 0 "[ . 1 . 2]" 1
1903 1 10 LEU H 1 10 LEU QB . . 3.360 2.652 2.114 3.180 . 0 0 "[ . 1 . 2]" 1
1904 1 10 LEU H 1 10 LEU QD . . 4.970 3.356 2.177 4.123 . 0 0 "[ . 1 . 2]" 1
1905 1 10 LEU HA 1 10 LEU QD . . 3.910 2.709 2.082 3.457 . 0 0 "[ . 1 . 2]" 1
1906 1 14 SER HA 1 15 GLU QG . . 4.770 4.456 4.143 4.739 . 0 0 "[ . 1 . 2]" 1
1907 1 15 GLU H 1 15 GLU QG . . 3.350 3.091 2.938 3.264 . 0 0 "[ . 1 . 2]" 1
1908 1 15 GLU HA 1 15 GLU QG . . 3.320 2.325 2.153 2.458 . 0 0 "[ . 1 . 2]" 1
1909 1 15 GLU HA 1 16 GLN QB . . 4.870 4.158 3.981 4.471 . 0 0 "[ . 1 . 2]" 1
1910 1 15 GLU HA 1 47 GLY QA . . 4.260 3.795 3.294 4.002 . 0 0 "[ . 1 . 2]" 1
1911 1 15 GLU HB3 1 47 GLY QA . . 4.130 2.371 2.092 2.796 . 0 0 "[ . 1 . 2]" 1
1912 1 15 GLU QG 1 16 GLN H . . 4.420 4.036 3.631 4.290 . 0 0 "[ . 1 . 2]" 1
1913 1 15 GLU QG 1 47 GLY QA . . 3.380 2.437 2.092 2.888 . 0 0 "[ . 1 . 2]" 1
1914 1 15 GLU QG 1 48 GLN H . . 3.910 3.635 3.012 3.913 0.003 11 0 "[ . 1 . 2]" 1
1915 1 16 GLN H 1 16 GLN QB . . 3.380 2.601 2.316 3.188 . 0 0 "[ . 1 . 2]" 1
1916 1 16 GLN H 1 47 GLY QA . . 4.470 3.838 2.817 4.333 . 0 0 "[ . 1 . 2]" 1
1917 1 16 GLN QB 1 17 ALA H . . 3.510 2.107 1.963 2.284 . 0 0 "[ . 1 . 2]" 1
1918 1 16 GLN QB 1 17 ALA MB . . 4.260 3.591 3.521 3.699 . 0 0 "[ . 1 . 2]" 1
1919 1 16 GLN QB 1 46 ASN QB . . 3.650 3.100 2.797 3.677 0.027 16 0 "[ . 1 . 2]" 1
1920 1 16 GLN QB 1 46 ASN HD21 . . 4.840 4.230 3.805 4.839 . 0 0 "[ . 1 . 2]" 1
1921 1 16 GLN QB 1 99 ILE MG . . 4.560 3.324 3.117 3.559 . 0 0 "[ . 1 . 2]" 1
1922 1 16 GLN QB 1 99 ILE HG13 . . 5.340 4.056 3.933 4.137 . 0 0 "[ . 1 . 2]" 1
1923 1 17 ALA MB 1 100 GLY QA . . 3.740 2.301 2.189 2.508 . 0 0 "[ . 1 . 2]" 1
1924 1 18 PRO HB2 1 19 SER QB . . 5.340 5.326 5.172 5.360 0.020 20 0 "[ . 1 . 2]" 1
1925 1 18 PRO HB3 1 42 PRO QG . . 4.590 3.439 3.115 3.916 . 0 0 "[ . 1 . 2]" 1
1926 1 19 SER H 1 44 GLU QB . . 4.060 3.260 2.757 3.960 . 0 0 "[ . 1 . 2]" 1
1927 1 19 SER HA 1 103 PRO QD . . 3.830 2.339 2.127 2.478 . 0 0 "[ . 1 . 2]" 1
1928 1 19 SER QB 1 44 GLU QB . . 4.610 3.443 2.898 4.536 . 0 0 "[ . 1 . 2]" 1
1929 1 19 SER QB 1 46 ASN HD21 . . 4.150 3.303 2.699 3.731 . 0 0 "[ . 1 . 2]" 1
1930 1 19 SER QB 1 46 ASN HD22 . . 3.750 2.939 2.348 3.710 . 0 0 "[ . 1 . 2]" 1
1931 1 20 SER H 1 44 GLU QB . . 5.070 4.068 3.682 4.576 . 0 0 "[ . 1 . 2]" 1
1932 1 20 SER H 1 103 PRO QD . . 3.800 2.639 2.412 2.845 . 0 0 "[ . 1 . 2]" 1
1933 1 20 SER QB 1 21 ALA H . . 3.800 3.544 3.089 3.812 0.012 15 0 "[ . 1 . 2]" 1
1934 1 20 SER QB 1 44 GLU QB . . 3.750 2.189 1.976 2.705 . 0 0 "[ . 1 . 2]" 1
1935 1 21 ALA HA 1 22 PRO QD . . 3.280 2.106 2.101 2.117 . 0 0 "[ . 1 . 2]" 1
1936 1 21 ALA MB 1 22 PRO QG . . 3.900 3.534 3.426 3.587 . 0 0 "[ . 1 . 2]" 1
1937 1 21 ALA MB 1 105 SER QB . . 3.220 2.753 2.400 3.094 . 0 0 "[ . 1 . 2]" 1
1938 1 22 PRO HA 1 23 ARG QG . . 4.160 3.401 3.239 3.553 . 0 0 "[ . 1 . 2]" 1
1939 1 22 PRO HA 1 42 PRO QB . . 4.400 3.562 3.132 3.723 . 0 0 "[ . 1 . 2]" 1
1940 1 22 PRO HB2 1 25 VAL QG . . 4.130 2.490 2.084 3.082 . 0 0 "[ . 1 . 2]" 1
1941 1 22 PRO HB3 1 25 VAL QG . . 4.340 3.813 3.431 4.391 0.051 15 0 "[ . 1 . 2]" 1
1942 1 22 PRO HB3 1 93 VAL QG . . 3.860 3.036 2.846 3.536 . 0 0 "[ . 1 . 2]" 1
1943 1 22 PRO QG 1 52 TYR QD . . 5.350 4.688 4.478 5.110 . 0 0 "[ . 1 . 2]" 1
1944 1 22 PRO QG 1 93 VAL HB . . 4.060 2.441 2.237 2.789 . 0 0 "[ . 1 . 2]" 1
1945 1 22 PRO QG 1 93 VAL QG . . 3.240 2.308 1.947 2.681 . 0 0 "[ . 1 . 2]" 1
1946 1 22 PRO QG 1 94 LEU H . . 4.390 3.440 3.262 3.697 . 0 0 "[ . 1 . 2]" 1
1947 1 22 PRO QG 1 94 LEU HA . . 4.040 2.451 2.252 2.614 . 0 0 "[ . 1 . 2]" 1
1948 1 22 PRO QG 1 95 ALA MB . . 4.950 4.252 3.927 4.632 . 0 0 "[ . 1 . 2]" 1
1949 1 22 PRO QG 1 105 SER QB . . 4.950 1.954 1.877 2.072 . 0 0 "[ . 1 . 2]" 1
1950 1 22 PRO QD 1 94 LEU HA . . 3.670 2.125 1.987 2.243 . 0 0 "[ . 1 . 2]" 1
1951 1 22 PRO QD 1 95 ALA MB . . 4.460 3.409 3.136 3.770 . 0 0 "[ . 1 . 2]" 1
1952 1 22 PRO QD 1 105 SER H . . 4.230 3.337 3.002 3.510 . 0 0 "[ . 1 . 2]" 1
1953 1 23 ARG H 1 23 ARG QG . . 3.450 2.597 2.141 2.877 . 0 0 "[ . 1 . 2]" 1
1954 1 23 ARG H 1 25 VAL QG . . 4.520 3.641 3.228 4.375 . 0 0 "[ . 1 . 2]" 1
1955 1 23 ARG HA 1 23 ARG QG . . 3.640 2.583 2.469 3.316 . 0 0 "[ . 1 . 2]" 1
1956 1 23 ARG HA 1 25 VAL QG . . 3.540 2.984 2.766 3.270 . 0 0 "[ . 1 . 2]" 1
1957 1 23 ARG QB 1 23 ARG QD . . 3.160 2.268 1.991 2.442 . 0 0 "[ . 1 . 2]" 1
1958 1 23 ARG QB 1 23 ARG HE . . 3.970 2.586 1.991 3.968 . 0 0 "[ . 1 . 2]" 1
1959 1 23 ARG QB 1 24 ASP H . . 3.260 2.189 2.112 2.297 . 0 0 "[ . 1 . 2]" 1
1960 1 23 ARG QB 1 24 ASP HA . . 4.730 4.071 4.012 4.135 . 0 0 "[ . 1 . 2]" 1
1961 1 23 ARG QB 1 24 ASP QB . . 4.160 3.135 3.093 3.269 . 0 0 "[ . 1 . 2]" 1
1962 1 23 ARG QG 1 24 ASP H . . 4.960 4.040 3.827 4.105 . 0 0 "[ . 1 . 2]" 1
1963 1 23 ARG QG 1 42 PRO HA . . 3.930 3.435 3.264 3.547 . 0 0 "[ . 1 . 2]" 1
1964 1 23 ARG QG 1 43 GLU H . . 4.350 4.293 3.973 4.362 0.012 15 0 "[ . 1 . 2]" 1
1965 1 23 ARG QD 1 43 GLU QB . . 3.860 3.516 2.471 3.863 0.003 14 0 "[ . 1 . 2]" 1
1966 1 23 ARG QD 1 43 GLU QG . . 3.590 3.369 2.217 3.593 0.003 17 0 "[ . 1 . 2]" 1
1967 1 24 ASP H 1 24 ASP QB . . 3.600 2.902 2.861 2.953 . 0 0 "[ . 1 . 2]" 1
1968 1 24 ASP H 1 25 VAL QG . . 4.420 3.877 3.720 4.030 . 0 0 "[ . 1 . 2]" 1
1969 1 24 ASP HA 1 25 VAL QG . . 4.560 4.384 4.294 4.477 . 0 0 "[ . 1 . 2]" 1
1970 1 24 ASP QB 1 25 VAL H . . 3.840 3.765 3.721 3.828 . 0 0 "[ . 1 . 2]" 1
1971 1 24 ASP QB 1 40 LYS H . . 3.870 2.832 2.366 3.615 . 0 0 "[ . 1 . 2]" 1
1972 1 24 ASP QB 1 40 LYS HA . . 5.020 4.140 3.920 4.476 . 0 0 "[ . 1 . 2]" 1
1973 1 24 ASP QB 1 40 LYS HB2 . . 3.620 2.297 2.038 2.494 . 0 0 "[ . 1 . 2]" 1
1974 1 24 ASP QB 1 40 LYS QG . . 3.620 2.460 1.853 2.867 . 0 0 "[ . 1 . 2]" 1
1975 1 24 ASP QB 1 40 LYS QD . . 3.510 2.708 1.932 3.576 0.066 18 0 "[ . 1 . 2]" 1
1976 1 25 VAL H 1 25 VAL QG . . 2.590 2.156 1.907 2.405 . 0 0 "[ . 1 . 2]" 1
1977 1 25 VAL HA 1 25 VAL QG . . 3.020 2.136 2.074 2.306 . 0 0 "[ . 1 . 2]" 1
1978 1 25 VAL HA 1 37 VAL QG . . 5.440 4.060 3.857 4.302 . 0 0 "[ . 1 . 2]" 1
1979 1 25 VAL HB 1 37 VAL QG . . 5.440 5.158 4.441 5.444 0.004 4 0 "[ . 1 . 2]" 1
1980 1 25 VAL QG 1 26 GLN H . . 3.220 2.878 2.005 3.221 0.001 7 0 "[ . 1 . 2]" 1
1981 1 25 VAL QG 1 37 VAL HA . . 5.270 4.709 3.999 5.176 . 0 0 "[ . 1 . 2]" 1
1982 1 25 VAL QG 1 38 GLN H . . 4.740 4.233 3.228 4.742 0.002 12 0 "[ . 1 . 2]" 1
1983 1 25 VAL QG 1 39 TRP HB2 . . 3.630 2.297 1.932 3.156 . 0 0 "[ . 1 . 2]" 1
1984 1 25 VAL QG 1 39 TRP HE3 . . 4.070 3.150 2.632 3.710 . 0 0 "[ . 1 . 2]" 1
1985 1 25 VAL QG 1 40 LYS H . . 4.710 3.511 2.992 4.055 . 0 0 "[ . 1 . 2]" 1
1986 1 25 VAL QG 1 91 VAL HB . . 5.060 4.577 3.935 4.823 . 0 0 "[ . 1 . 2]" 1
1987 1 25 VAL QG 1 91 VAL MG1 . . 3.700 3.334 3.087 3.519 . 0 0 "[ . 1 . 2]" 1
1988 1 25 VAL QG 1 92 LYS HA . . 4.330 3.940 3.549 4.352 0.022 15 0 "[ . 1 . 2]" 1
1989 1 25 VAL QG 1 93 VAL H . . 3.990 3.447 2.615 4.005 0.015 16 0 "[ . 1 . 2]" 1
1990 1 25 VAL QG 1 93 VAL HB . . 3.630 2.423 2.046 2.793 . 0 0 "[ . 1 . 2]" 1
1991 1 25 VAL QG 1 93 VAL QG . . 2.690 2.036 1.818 2.231 . 0 0 "[ . 1 . 2]" 1
1992 1 25 VAL QG 1 105 SER H . . 5.440 4.744 4.467 5.139 . 0 0 "[ . 1 . 2]" 1
1993 1 25 VAL QG 1 105 SER HA . . 4.870 4.795 4.562 4.902 0.032 20 0 "[ . 1 . 2]" 1
1994 1 25 VAL QG 1 105 SER QB . . 3.350 2.753 2.500 2.929 . 0 0 "[ . 1 . 2]" 1
1995 1 25 VAL QG 1 105 SER HG . . 3.690 2.957 2.405 3.511 . 0 0 "[ . 1 . 2]" 1
1996 1 25 VAL QG 1 106 SER H . . 4.590 4.464 4.258 4.590 0.000 5 0 "[ . 1 . 2]" 1
1997 1 26 GLN H 1 26 GLN QB . . 3.490 2.912 2.588 3.371 . 0 0 "[ . 1 . 2]" 1
1998 1 26 GLN H 1 37 VAL QG . . 4.190 3.627 3.089 4.102 . 0 0 "[ . 1 . 2]" 1
1999 1 26 GLN QB 1 27 ALA H . . 3.200 2.738 2.105 2.909 . 0 0 "[ . 1 . 2]" 1
2000 1 27 ALA HA 1 37 VAL QG . . 3.480 3.084 2.610 3.314 . 0 0 "[ . 1 . 2]" 1
2001 1 27 ALA MB 1 37 VAL QG . . 3.310 2.449 1.849 2.809 . 0 0 "[ . 1 . 2]" 1
2002 1 28 ARG H 1 28 ARG QB . . 3.450 2.989 2.817 3.171 . 0 0 "[ . 1 . 2]" 1
2003 1 28 ARG H 1 28 ARG QG . . 3.290 2.060 1.937 2.190 . 0 0 "[ . 1 . 2]" 1
2004 1 28 ARG H 1 36 LEU QB . . 4.460 3.360 2.724 3.947 . 0 0 "[ . 1 . 2]" 1
2005 1 28 ARG H 1 36 LEU QD . . 5.060 3.957 3.137 4.603 . 0 0 "[ . 1 . 2]" 1
2006 1 28 ARG H 1 37 VAL QG . . 4.670 4.253 3.868 4.426 . 0 0 "[ . 1 . 2]" 1
2007 1 28 ARG H 1 110 VAL QG . . 4.690 4.474 4.110 4.610 . 0 0 "[ . 1 . 2]" 1
2008 1 28 ARG HA 1 29 MET QG . . 5.040 4.721 3.897 4.893 . 0 0 "[ . 1 . 2]" 1
2009 1 28 ARG HA 1 110 VAL QG . . 3.810 3.704 2.915 3.824 0.014 12 0 "[ . 1 . 2]" 1
2010 1 28 ARG QB 1 29 MET H . . 3.330 3.157 2.965 3.254 . 0 0 "[ . 1 . 2]" 1
2011 1 28 ARG QB 1 36 LEU QD . . 4.990 4.346 3.995 4.999 0.009 19 0 "[ . 1 . 2]" 1
2012 1 28 ARG QG 1 29 MET H . . 4.350 4.232 3.970 4.344 . 0 0 "[ . 1 . 2]" 1
2013 1 28 ARG QG 1 30 LEU QD . . 3.210 2.473 1.977 3.211 0.001 19 0 "[ . 1 . 2]" 1
2014 1 28 ARG QG 1 36 LEU QD . . 3.990 2.706 2.335 3.322 . 0 0 "[ . 1 . 2]" 1
2015 1 28 ARG QD 1 36 LEU QD . . 3.940 2.754 1.969 3.808 . 0 0 "[ . 1 . 2]" 1
2016 1 29 MET H 1 29 MET QB . . 3.230 2.124 2.059 2.647 . 0 0 "[ . 1 . 2]" 1
2017 1 29 MET H 1 29 MET QG . . 3.480 3.252 2.177 3.412 . 0 0 "[ . 1 . 2]" 1
2018 1 29 MET H 1 110 VAL QG . . 3.720 3.700 3.258 3.739 0.019 12 0 "[ . 1 . 2]" 1
2019 1 29 MET HA 1 29 MET QG . . 3.480 2.514 2.020 3.342 . 0 0 "[ . 1 . 2]" 1
2020 1 29 MET HA 1 30 LEU QD . . 4.650 3.865 3.663 4.524 . 0 0 "[ . 1 . 2]" 1
2021 1 29 MET HA 1 110 VAL QG . . 5.080 4.389 4.244 4.729 . 0 0 "[ . 1 . 2]" 1
2022 1 29 MET QB 1 29 MET QG . . 2.360 2.001 1.995 2.036 . 0 0 "[ . 1 . 2]" 1
2023 1 29 MET QB 1 30 LEU H . . 4.190 3.164 2.523 3.300 . 0 0 "[ . 1 . 2]" 1
2024 1 29 MET QB 1 31 SER H . . 4.020 3.819 2.936 4.036 0.016 18 0 "[ . 1 . 2]" 1
2025 1 29 MET QB 1 35 ILE MG . . 4.470 3.865 2.057 4.107 . 0 0 "[ . 1 . 2]" 1
2026 1 29 MET QB 1 110 VAL QG . . 4.940 3.639 3.475 3.782 . 0 0 "[ . 1 . 2]" 1
2027 1 29 MET QB 1 112 THR HA . . 5.020 4.250 3.527 4.592 . 0 0 "[ . 1 . 2]" 1
2028 1 29 MET QB 1 113 GLN H . . 4.350 3.479 3.038 4.422 0.072 19 0 "[ . 1 . 2]" 1
2029 1 29 MET ME 1 29 MET QG . . 2.880 2.091 2.039 2.479 . 0 0 "[ . 1 . 2]" 1
2030 1 29 MET QG 1 30 LEU H . . 4.070 3.989 3.428 4.075 0.005 20 0 "[ . 1 . 2]" 1
2031 1 29 MET QG 1 110 VAL QG . . 3.820 2.834 2.624 3.310 . 0 0 "[ . 1 . 2]" 1
2032 1 29 MET QG 1 112 THR HA . . 3.480 2.431 2.039 2.735 . 0 0 "[ . 1 . 2]" 1
2033 1 29 MET QG 1 112 THR HB . . 4.650 4.353 3.873 4.659 0.009 12 0 "[ . 1 . 2]" 1
2034 1 29 MET QG 1 113 GLN H . . 3.570 2.143 1.935 3.092 . 0 0 "[ . 1 . 2]" 1
2035 1 29 MET QG 1 114 THR H . . 5.340 4.878 2.565 5.342 0.002 15 0 "[ . 1 . 2]" 1
2036 1 29 MET ME 1 83 LEU QD . . 3.880 3.777 3.357 3.900 0.020 19 0 "[ . 1 . 2]" 1
2037 1 29 MET ME 1 110 VAL QG . . 5.140 4.221 3.850 4.410 . 0 0 "[ . 1 . 2]" 1
2038 1 30 LEU H 1 30 LEU QB . . 3.580 2.711 2.419 2.796 . 0 0 "[ . 1 . 2]" 1
2039 1 30 LEU H 1 30 LEU QD . . 3.710 3.274 3.159 3.650 . 0 0 "[ . 1 . 2]" 1
2040 1 30 LEU HA 1 30 LEU QD . . 2.710 2.270 1.983 2.477 . 0 0 "[ . 1 . 2]" 1
2041 1 30 LEU QB 1 31 SER H . . 3.280 2.821 2.684 2.997 . 0 0 "[ . 1 . 2]" 1
2042 1 30 LEU QB 1 34 THR HB . . 3.830 3.287 2.660 3.867 0.037 19 0 "[ . 1 . 2]" 1
2043 1 30 LEU QB 1 34 THR MG . . 4.750 4.214 3.266 4.743 . 0 0 "[ . 1 . 2]" 1
2044 1 30 LEU QD 1 31 SER H . . 4.680 4.073 3.964 4.260 . 0 0 "[ . 1 . 2]" 1
2045 1 30 LEU QD 1 34 THR HB . . 4.100 3.943 3.719 4.107 0.007 19 0 "[ . 1 . 2]" 1
2046 1 30 LEU QD 1 35 ILE HA . . 4.140 3.933 3.614 4.150 0.010 19 0 "[ . 1 . 2]" 1
2047 1 30 LEU QD 1 36 LEU H . . 4.140 4.010 3.766 4.145 0.005 6 0 "[ . 1 . 2]" 1
2048 1 30 LEU QD 1 36 LEU HA . . 4.500 4.102 3.499 4.449 . 0 0 "[ . 1 . 2]" 1
2049 1 30 LEU QD 1 36 LEU QB . . 2.940 2.160 1.878 2.506 . 0 0 "[ . 1 . 2]" 1
2050 1 30 LEU MD2 1 36 LEU HB2 . . 5.270 3.859 3.133 4.646 . 0 0 "[ . 1 . 2]" 1
2051 1 30 LEU QD 1 79 THR HB . . 4.850 4.622 3.747 4.854 0.004 19 0 "[ . 1 . 2]" 1
2052 1 30 LEU QD 1 79 THR MG . . 3.240 3.060 2.613 3.245 0.005 6 0 "[ . 1 . 2]" 1
2053 1 31 SER QB 1 33 THR H . . 4.330 2.118 2.013 2.180 . 0 0 "[ . 1 . 2]" 1
2054 1 33 THR HA 1 83 LEU QD . . 4.020 3.767 3.437 4.021 0.001 12 0 "[ . 1 . 2]" 1
2055 1 33 THR HB 1 83 LEU QD . . 5.440 4.454 4.239 4.895 . 0 0 "[ . 1 . 2]" 1
2056 1 34 THR HA 1 35 ILE QG . . 4.740 3.817 3.699 3.838 . 0 0 "[ . 1 . 2]" 1
2057 1 34 THR HA 1 81 GLY QA . . 3.270 2.264 2.122 2.311 . 0 0 "[ . 1 . 2]" 1
2058 1 34 THR HA 1 83 LEU QD . . 4.110 3.711 2.434 3.943 . 0 0 "[ . 1 . 2]" 1
2059 1 34 THR MG 1 81 GLY QA . . 3.170 2.475 2.209 2.657 . 0 0 "[ . 1 . 2]" 1
2060 1 35 ILE H 1 35 ILE QG . . 3.240 2.150 2.113 2.359 . 0 0 "[ . 1 . 2]" 1
2061 1 35 ILE H 1 81 GLY QA . . 4.100 3.245 3.161 3.433 . 0 0 "[ . 1 . 2]" 1
2062 1 35 ILE H 1 83 LEU QD . . 3.850 3.343 2.656 3.808 . 0 0 "[ . 1 . 2]" 1
2063 1 35 ILE HB 1 37 VAL QG . . 3.990 3.769 3.609 3.934 . 0 0 "[ . 1 . 2]" 1
2064 1 35 ILE HB 1 83 LEU QD . . 4.490 4.292 3.825 4.457 . 0 0 "[ . 1 . 2]" 1
2065 1 35 ILE HB 1 110 VAL QG . . 4.010 3.703 3.548 3.937 . 0 0 "[ . 1 . 2]" 1
2066 1 35 ILE QG 1 35 ILE MG . . 3.260 2.299 2.170 2.335 . 0 0 "[ . 1 . 2]" 1
2067 1 35 ILE MG 1 83 LEU QD . . 3.090 2.310 1.861 2.476 . 0 0 "[ . 1 . 2]" 1
2068 1 35 ILE MG 1 110 VAL QG . . 3.120 2.938 2.797 3.104 . 0 0 "[ . 1 . 2]" 1
2069 1 35 ILE QG 1 36 LEU H . . 4.320 3.285 3.005 3.695 . 0 0 "[ . 1 . 2]" 1
2070 1 35 ILE QG 1 80 ILE H . . 4.490 2.317 2.201 2.483 . 0 0 "[ . 1 . 2]" 1
2071 1 35 ILE QG 1 80 ILE HB . . 3.820 2.116 2.035 2.172 . 0 0 "[ . 1 . 2]" 1
2072 1 35 ILE QG 1 83 LEU QD . . 3.430 2.311 1.862 2.556 . 0 0 "[ . 1 . 2]" 1
2073 1 35 ILE MD 1 37 VAL QG . . 2.650 2.583 2.438 2.662 0.012 19 0 "[ . 1 . 2]" 1
2074 1 35 ILE MD 1 83 LEU QD . . 3.260 2.307 2.134 2.447 . 0 0 "[ . 1 . 2]" 1
2075 1 35 ILE MD 1 110 VAL QG . . 3.100 2.977 2.766 3.124 0.024 19 0 "[ . 1 . 2]" 1
2076 1 36 LEU H 1 36 LEU QB . . 3.190 2.628 2.425 2.745 . 0 0 "[ . 1 . 2]" 1
2077 1 36 LEU H 1 36 LEU QD . . 4.970 3.918 3.692 3.999 . 0 0 "[ . 1 . 2]" 1
2078 1 36 LEU H 1 37 VAL QG . . 4.620 3.794 3.653 4.109 . 0 0 "[ . 1 . 2]" 1
2079 1 36 LEU HA 1 36 LEU QD . . 3.060 2.496 1.886 3.049 . 0 0 "[ . 1 . 2]" 1
2080 1 36 LEU QB 1 36 LEU QD . . 2.800 1.891 1.790 1.953 . 0 0 "[ . 1 . 2]" 1
2081 1 36 LEU QB 1 79 THR HA . . 5.340 3.903 3.582 4.416 . 0 0 "[ . 1 . 2]" 1
2082 1 36 LEU QD 1 37 VAL H . . 3.220 2.587 1.776 3.153 . 0 0 "[ . 1 . 2]" 1
2083 1 36 LEU QD 1 38 GLN HA . . 4.150 3.720 3.607 3.757 . 0 0 "[ . 1 . 2]" 1
2084 1 36 LEU QD 1 38 GLN HB3 . . 4.290 2.614 2.344 2.900 . 0 0 "[ . 1 . 2]" 1
2085 1 36 LEU QD 1 38 GLN QG . . 4.840 3.184 2.474 4.025 . 0 0 "[ . 1 . 2]" 1
2086 1 36 LEU QD 1 38 GLN QE . . 4.020 2.832 2.042 3.845 . 0 0 "[ . 1 . 2]" 1
2087 1 36 LEU QD 1 39 TRP H . . 5.440 5.444 5.260 5.487 0.047 20 0 "[ . 1 . 2]" 1
2088 1 36 LEU QD 1 77 ILE HA . . 4.570 3.813 3.387 4.206 . 0 0 "[ . 1 . 2]" 1
2089 1 36 LEU QD 1 78 THR H . . 3.830 3.201 2.676 3.832 0.002 4 0 "[ . 1 . 2]" 1
2090 1 36 LEU QD 1 79 THR H . . 5.440 4.590 4.031 5.226 . 0 0 "[ . 1 . 2]" 1
2091 1 36 LEU QD 1 79 THR HA . . 4.090 3.442 2.690 4.095 0.005 13 0 "[ . 1 . 2]" 1
2092 1 36 LEU QD 1 79 THR HB . . 5.400 4.240 3.497 4.536 . 0 0 "[ . 1 . 2]" 1
2093 1 37 VAL H 1 37 VAL QG . . 3.100 2.534 2.416 2.772 . 0 0 "[ . 1 . 2]" 1
2094 1 37 VAL HA 1 37 VAL QG . . 2.850 2.110 2.062 2.141 . 0 0 "[ . 1 . 2]" 1
2095 1 37 VAL HB 1 54 VAL QG . . 4.570 3.383 3.051 3.847 . 0 0 "[ . 1 . 2]" 1
2096 1 37 VAL QG 1 38 GLN H . . 3.100 2.617 2.464 2.781 . 0 0 "[ . 1 . 2]" 1
2097 1 37 VAL QG 1 38 GLN HA . . 4.240 3.649 3.572 3.781 . 0 0 "[ . 1 . 2]" 1
2098 1 37 VAL QG 1 39 TRP H . . 4.870 4.394 4.069 4.677 . 0 0 "[ . 1 . 2]" 1
2099 1 37 VAL QG 1 39 TRP HE3 . . 2.950 2.103 1.949 2.373 . 0 0 "[ . 1 . 2]" 1
2100 1 37 VAL QG 1 39 TRP HZ3 . . 3.180 2.178 1.933 2.479 . 0 0 "[ . 1 . 2]" 1
2101 1 37 VAL QG 1 39 TRP HH2 . . 4.500 4.105 3.798 4.518 0.018 14 0 "[ . 1 . 2]" 1
2102 1 37 VAL QG 1 54 VAL QG . . 3.940 2.545 2.278 2.779 . 0 0 "[ . 1 . 2]" 1
2103 1 37 VAL QG 1 77 ILE HA . . 5.000 4.376 4.240 4.468 . 0 0 "[ . 1 . 2]" 1
2104 1 37 VAL QG 1 78 THR MG . . 3.330 2.645 2.402 2.953 . 0 0 "[ . 1 . 2]" 1
2105 1 37 VAL QG 1 79 THR HA . . 5.020 4.142 3.896 4.529 . 0 0 "[ . 1 . 2]" 1
2106 1 37 VAL QG 1 80 ILE H . . 4.430 3.946 3.592 4.434 0.004 15 0 "[ . 1 . 2]" 1
2107 1 37 VAL QG 1 80 ILE QG . . 4.610 3.443 3.144 3.920 . 0 0 "[ . 1 . 2]" 1
2108 1 37 VAL QG 1 80 ILE MD . . 3.000 2.727 2.289 3.002 0.002 20 0 "[ . 1 . 2]" 1
2109 1 37 VAL QG 1 93 VAL QG . . 3.240 2.327 1.951 2.529 . 0 0 "[ . 1 . 2]" 1
2110 1 38 GLN HB2 1 38 GLN QE . . 4.160 2.617 1.941 3.622 . 0 0 "[ . 1 . 2]" 1
2111 1 38 GLN HB3 1 38 GLN QE . . 4.070 2.357 2.017 3.201 . 0 0 "[ . 1 . 2]" 1
2112 1 38 GLN QE 1 77 ILE MG . . 5.340 5.280 4.825 5.342 0.002 17 0 "[ . 1 . 2]" 1
2113 1 38 GLN QE 1 77 ILE HG13 . . 5.200 4.040 3.591 4.820 . 0 0 "[ . 1 . 2]" 1
2114 1 38 GLN QE 1 77 ILE MD . . 4.120 2.864 2.303 3.581 . 0 0 "[ . 1 . 2]" 1
2115 1 39 TRP HA 1 40 LYS QG . . 5.190 4.087 3.838 4.490 . 0 0 "[ . 1 . 2]" 1
2116 1 39 TRP HE3 1 93 VAL QG . . 3.680 2.581 2.390 2.845 . 0 0 "[ . 1 . 2]" 1
2117 1 39 TRP HE1 1 72 VAL QG . . 4.810 4.041 3.756 4.343 . 0 0 "[ . 1 . 2]" 1
2118 1 39 TRP HE1 1 93 VAL QG . . 4.690 3.330 3.095 3.566 . 0 0 "[ . 1 . 2]" 1
2119 1 39 TRP HZ3 1 54 VAL QG . . 3.800 2.725 2.116 3.243 . 0 0 "[ . 1 . 2]" 1
2120 1 39 TRP HZ3 1 93 VAL QG . . 4.500 3.092 2.568 3.489 . 0 0 "[ . 1 . 2]" 1
2121 1 39 TRP HZ2 1 72 VAL QG . . 3.080 2.129 1.885 2.463 . 0 0 "[ . 1 . 2]" 1
2122 1 39 TRP HH2 1 54 VAL QG . . 3.300 2.465 1.997 2.912 . 0 0 "[ . 1 . 2]" 1
2123 1 39 TRP HH2 1 72 VAL QG . . 2.850 2.148 1.916 2.373 . 0 0 "[ . 1 . 2]" 1
2124 1 40 LYS HA 1 40 LYS QG . . 3.450 2.285 2.108 2.744 . 0 0 "[ . 1 . 2]" 1
2125 1 40 LYS HB2 1 40 LYS QD . . 3.310 2.539 2.183 3.336 0.026 18 0 "[ . 1 . 2]" 1
2126 1 40 LYS HB2 1 40 LYS QE . . 4.470 3.882 3.300 4.309 . 0 0 "[ . 1 . 2]" 1
2127 1 40 LYS HB3 1 40 LYS QD . . 3.420 2.364 1.989 2.711 . 0 0 "[ . 1 . 2]" 1
2128 1 40 LYS HB3 1 40 LYS QE . . 4.580 3.270 2.248 4.099 . 0 0 "[ . 1 . 2]" 1
2129 1 40 LYS QE 1 40 LYS QG . . 3.160 2.074 1.970 2.253 . 0 0 "[ . 1 . 2]" 1
2130 1 40 LYS QG 1 41 GLU H . . 3.850 3.367 2.952 3.905 0.055 8 0 "[ . 1 . 2]" 1
2131 1 41 GLU HA 1 42 PRO QG . . 4.560 4.040 3.954 4.069 . 0 0 "[ . 1 . 2]" 1
2132 1 41 GLU QG 1 42 PRO QG . . 4.300 3.808 3.652 4.067 . 0 0 "[ . 1 . 2]" 1
2133 1 42 PRO QB 1 43 GLU H . . 3.940 2.456 2.442 2.560 . 0 0 "[ . 1 . 2]" 1
2134 1 42 PRO QB 1 45 PRO HA . . 4.400 3.632 3.451 3.792 . 0 0 "[ . 1 . 2]" 1
2135 1 42 PRO QB 1 49 ILE MD . . 4.830 4.197 3.991 4.464 . 0 0 "[ . 1 . 2]" 1
2136 1 42 PRO QB 1 95 ALA MB . . 4.360 2.972 2.731 3.360 . 0 0 "[ . 1 . 2]" 1
2137 1 42 PRO QG 1 44 GLU H . . 4.590 3.838 3.098 4.092 . 0 0 "[ . 1 . 2]" 1
2138 1 42 PRO QG 1 45 PRO HA . . 4.220 2.739 2.597 2.988 . 0 0 "[ . 1 . 2]" 1
2139 1 42 PRO QG 1 45 PRO QB . . 4.870 2.614 2.336 2.832 . 0 0 "[ . 1 . 2]" 1
2140 1 42 PRO QG 1 49 ILE MD . . 3.370 2.511 2.286 2.807 . 0 0 "[ . 1 . 2]" 1
2141 1 42 PRO QG 1 95 ALA MB . . 3.160 2.443 2.240 2.829 . 0 0 "[ . 1 . 2]" 1
2142 1 43 GLU H 1 43 GLU QB . . 3.320 2.481 2.155 2.841 . 0 0 "[ . 1 . 2]" 1
2143 1 43 GLU HA 1 45 PRO QD . . 4.190 3.514 3.355 3.786 . 0 0 "[ . 1 . 2]" 1
2144 1 44 GLU H 1 44 GLU QB . . 3.540 2.620 2.451 2.963 . 0 0 "[ . 1 . 2]" 1
2145 1 44 GLU H 1 44 GLU QG . . 4.240 3.386 2.703 4.279 0.039 16 0 "[ . 1 . 2]" 1
2146 1 44 GLU HA 1 44 GLU QG . . 3.500 2.353 2.063 2.670 . 0 0 "[ . 1 . 2]" 1
2147 1 44 GLU QB 1 46 ASN HD21 . . 5.340 3.810 3.466 4.340 . 0 0 "[ . 1 . 2]" 1
2148 1 45 PRO QD 1 47 GLY H . . 5.090 4.808 4.771 4.845 . 0 0 "[ . 1 . 2]" 1
2149 1 47 GLY QA 1 48 GLN QB . . 4.290 3.895 3.845 4.016 . 0 0 "[ . 1 . 2]" 1
2150 1 47 GLY QA 1 97 THR MG . . 3.660 3.053 2.852 3.132 . 0 0 "[ . 1 . 2]" 1
2151 1 48 GLN H 1 48 GLN QG . . 3.750 3.448 2.383 3.854 0.104 18 0 "[ . 1 . 2]" 1
2152 1 48 GLN HA 1 48 GLN QG . . 3.440 2.237 2.010 3.324 . 0 0 "[ . 1 . 2]" 1
2153 1 48 GLN QB 1 50 GLN QE . . 4.010 2.788 2.121 3.892 . 0 0 "[ . 1 . 2]" 1
2154 1 49 ILE MG 1 51 GLY QA . . 4.290 3.120 2.920 3.396 . 0 0 "[ . 1 . 2]" 1
2155 1 50 GLN QE 1 50 GLN HG2 . . 3.410 2.234 2.099 2.468 . 0 0 "[ . 1 . 2]" 1
2156 1 50 GLN QE 1 50 GLN HG3 . . 3.440 2.850 2.528 3.273 . 0 0 "[ . 1 . 2]" 1
2157 1 51 GLY H 1 72 VAL QG . . 5.440 5.445 5.442 5.453 0.013 3 0 "[ . 1 . 2]" 1
2158 1 51 GLY QA 1 73 ALA MB . . 4.820 4.442 4.125 4.697 . 0 0 "[ . 1 . 2]" 1
2159 1 51 GLY QA 1 74 ASP H . . 3.600 2.096 1.905 2.762 . 0 0 "[ . 1 . 2]" 1
2160 1 51 GLY QA 1 74 ASP HA . . 4.100 2.821 2.430 4.040 . 0 0 "[ . 1 . 2]" 1
2161 1 51 GLY QA 1 75 SER H . . 5.160 4.369 4.172 4.950 . 0 0 "[ . 1 . 2]" 1
2162 1 51 GLY QA 1 96 PHE QE . . 4.130 3.297 3.155 3.437 . 0 0 "[ . 1 . 2]" 1
2163 1 51 GLY QA 1 96 PHE HZ . . 4.110 2.887 2.562 3.038 . 0 0 "[ . 1 . 2]" 1
2164 1 52 TYR H 1 72 VAL QG . . 3.970 2.496 1.887 2.772 . 0 0 "[ . 1 . 2]" 1
2165 1 52 TYR HA 1 72 VAL QG . . 4.880 4.144 3.775 4.371 . 0 0 "[ . 1 . 2]" 1
2166 1 52 TYR HA 1 94 LEU QD . . 4.250 3.640 3.548 3.832 . 0 0 "[ . 1 . 2]" 1
2167 1 52 TYR QB 1 54 VAL QG . . 4.190 3.525 3.379 3.671 . 0 0 "[ . 1 . 2]" 1
2168 1 52 TYR QB 1 72 VAL QG . . 3.350 2.345 2.124 2.603 . 0 0 "[ . 1 . 2]" 1
2169 1 52 TYR QB 1 93 VAL QG . . 3.800 2.684 2.450 2.917 . 0 0 "[ . 1 . 2]" 1
2170 1 52 TYR QD 1 93 VAL QG . . 4.020 3.605 3.512 3.746 . 0 0 "[ . 1 . 2]" 1
2171 1 53 ARG H 1 53 ARG QG . . 4.730 3.414 2.793 4.184 . 0 0 "[ . 1 . 2]" 1
2172 1 53 ARG H 1 54 VAL QG . . 4.640 4.093 3.868 4.379 . 0 0 "[ . 1 . 2]" 1
2173 1 53 ARG H 1 93 VAL QG . . 3.900 3.505 3.172 3.869 . 0 0 "[ . 1 . 2]" 1
2174 1 53 ARG H 1 94 LEU QD . . 3.720 3.229 2.928 3.501 . 0 0 "[ . 1 . 2]" 1
2175 1 53 ARG HA 1 53 ARG QG . . 3.700 2.354 2.176 2.518 . 0 0 "[ . 1 . 2]" 1
2176 1 53 ARG HA 1 54 VAL QG . . 3.920 3.521 3.410 3.633 . 0 0 "[ . 1 . 2]" 1
2177 1 53 ARG HA 1 72 VAL QG . . 4.830 3.399 3.034 3.883 . 0 0 "[ . 1 . 2]" 1
2178 1 53 ARG QB 1 53 ARG QD . . 3.300 2.098 1.985 2.252 . 0 0 "[ . 1 . 2]" 1
2179 1 53 ARG QB 1 94 LEU QD . . 3.820 2.066 1.895 2.349 . 0 0 "[ . 1 . 2]" 1
2180 1 53 ARG QG 1 70 HIS H . . 5.340 4.715 3.143 5.341 0.001 14 0 "[ . 1 . 2]" 1
2181 1 53 ARG QG 1 71 ASN HA . . 4.430 4.307 3.469 4.435 0.005 3 0 "[ . 1 . 2]" 1
2182 1 53 ARG QG 1 72 VAL H . . 5.340 4.894 4.302 5.341 0.001 2 0 "[ . 1 . 2]" 1
2183 1 53 ARG QG 1 94 LEU QD . . 4.780 3.430 3.177 3.702 . 0 0 "[ . 1 . 2]" 1
2184 1 53 ARG QD 1 55 TYR QE . . 4.180 3.581 2.391 4.149 . 0 0 "[ . 1 . 2]" 1
2185 1 53 ARG QD 1 94 LEU QD . . 4.160 2.433 1.967 3.918 . 0 0 "[ . 1 . 2]" 1
2186 1 54 VAL H 1 54 VAL QG . . 3.240 2.636 2.526 2.736 . 0 0 "[ . 1 . 2]" 1
2187 1 54 VAL HA 1 93 VAL QG . . 3.370 3.011 2.752 3.173 . 0 0 "[ . 1 . 2]" 1
2188 1 54 VAL HB 1 70 HIS QB . . 4.040 2.076 1.897 2.634 . 0 0 "[ . 1 . 2]" 1
2189 1 54 VAL QG 1 55 TYR H . . 3.360 2.330 1.954 2.729 . 0 0 "[ . 1 . 2]" 1
2190 1 54 VAL QG 1 55 TYR HA . . 4.920 3.676 3.471 3.939 . 0 0 "[ . 1 . 2]" 1
2191 1 54 VAL QG 1 56 TYR H . . 4.620 4.005 3.806 4.374 . 0 0 "[ . 1 . 2]" 1
2192 1 54 VAL QG 1 56 TYR HB2 . . 4.610 4.500 4.349 4.620 0.010 14 0 "[ . 1 . 2]" 1
2193 1 54 VAL QG 1 56 TYR HB3 . . 4.060 3.060 2.877 3.173 . 0 0 "[ . 1 . 2]" 1
2194 1 54 VAL QG 1 56 TYR QD . . 3.690 2.518 2.293 2.798 . 0 0 "[ . 1 . 2]" 1
2195 1 54 VAL QG 1 56 TYR QE . . 5.310 3.895 3.594 4.235 . 0 0 "[ . 1 . 2]" 1
2196 1 54 VAL QG 1 70 HIS H . . 4.560 3.938 3.693 4.178 . 0 0 "[ . 1 . 2]" 1
2197 1 54 VAL QG 1 70 HIS QB . . 3.790 2.673 2.521 3.111 . 0 0 "[ . 1 . 2]" 1
2198 1 54 VAL QG 1 78 THR MG . . 3.070 2.226 1.953 2.577 . 0 0 "[ . 1 . 2]" 1
2199 1 54 VAL QG 1 80 ILE MD . . 3.070 2.718 2.435 2.930 . 0 0 "[ . 1 . 2]" 1
2200 1 54 VAL QG 1 91 VAL HA . . 4.570 3.763 3.569 3.949 . 0 0 "[ . 1 . 2]" 1
2201 1 54 VAL QG 1 91 VAL HB . . 5.440 4.958 4.770 5.131 . 0 0 "[ . 1 . 2]" 1
2202 1 54 VAL QG 1 91 VAL MG1 . . 3.820 2.516 2.314 2.681 . 0 0 "[ . 1 . 2]" 1
2203 1 54 VAL QG 1 92 LYS H . . 4.130 2.938 2.634 3.319 . 0 0 "[ . 1 . 2]" 1
2204 1 54 VAL QG 1 93 VAL HA . . 4.010 3.058 2.935 3.267 . 0 0 "[ . 1 . 2]" 1
2205 1 54 VAL QG 1 93 VAL QG . . 2.740 2.123 1.778 2.315 . 0 0 "[ . 1 . 2]" 1
2206 1 54 VAL QG 1 94 LEU H . . 4.640 4.002 3.853 4.205 . 0 0 "[ . 1 . 2]" 1
2207 1 55 TYR H 1 93 VAL QG . . 4.700 3.908 3.771 4.044 . 0 0 "[ . 1 . 2]" 1
2208 1 55 TYR HB2 1 64 VAL QG . . 4.790 3.631 3.057 4.505 . 0 0 "[ . 1 . 2]" 1
2209 1 55 TYR HB2 1 104 LEU QD . . 4.070 3.659 3.198 4.060 . 0 0 "[ . 1 . 2]" 1
2210 1 55 TYR HB3 1 64 VAL QG . . 4.640 3.247 2.736 4.093 . 0 0 "[ . 1 . 2]" 1
2211 1 55 TYR HB3 1 104 LEU QD . . 5.060 4.520 4.097 4.902 . 0 0 "[ . 1 . 2]" 1
2212 1 55 TYR QD 1 64 VAL QG . . 3.700 2.850 2.214 3.708 0.008 2 0 "[ . 1 . 2]" 1
2213 1 55 TYR QD 1 94 LEU QD . . 4.600 3.578 3.240 3.829 . 0 0 "[ . 1 . 2]" 1
2214 1 55 TYR QD 1 104 LEU QD . . 3.510 2.691 2.102 3.005 . 0 0 "[ . 1 . 2]" 1
2215 1 55 TYR QE 1 64 VAL QG . . 4.190 3.004 2.295 4.038 . 0 0 "[ . 1 . 2]" 1
2216 1 55 TYR QE 1 69 LYS QD . . 4.330 3.468 1.979 4.173 . 0 0 "[ . 1 . 2]" 1
2217 1 55 TYR QE 1 69 LYS QE . . 3.480 2.178 1.902 3.398 . 0 0 "[ . 1 . 2]" 1
2218 1 55 TYR QE 1 94 LEU QD . . 3.300 1.892 1.878 1.918 . 0 0 "[ . 1 . 2]" 1
2219 1 55 TYR QE 1 104 LEU QD . . 3.800 2.378 1.925 2.976 . 0 0 "[ . 1 . 2]" 1
2220 1 56 TYR QD 1 83 LEU QD . . 3.610 3.112 2.934 3.272 . 0 0 "[ . 1 . 2]" 1
2221 1 56 TYR QE 1 80 ILE QG . . 5.120 3.529 3.249 3.802 . 0 0 "[ . 1 . 2]" 1
2222 1 56 TYR QE 1 83 LEU QD . . 3.090 2.748 2.514 3.094 0.004 19 0 "[ . 1 . 2]" 1
2223 1 57 THR H 1 90 SER QB . . 4.810 3.219 2.586 4.133 . 0 0 "[ . 1 . 2]" 1
2224 1 57 THR MG 1 60 PRO QD . . 3.810 3.066 2.936 3.283 . 0 0 "[ . 1 . 2]" 1
2225 1 57 THR MG 1 90 SER QB . . 3.870 3.440 2.940 3.880 0.010 11 0 "[ . 1 . 2]" 1
2226 1 58 MET H 1 58 MET QB . . 3.140 2.631 2.385 2.830 . 0 0 "[ . 1 . 2]" 1
2227 1 58 MET QB 1 58 MET ME . . 2.660 1.972 1.896 2.155 . 0 0 "[ . 1 . 2]" 1
2228 1 58 MET QB 1 89 TYR HA . . 4.610 4.488 4.156 4.612 0.002 2 0 "[ . 1 . 2]" 1
2229 1 58 MET QB 1 89 TYR QD . . 5.340 3.917 3.740 4.235 . 0 0 "[ . 1 . 2]" 1
2230 1 58 MET QB 1 89 TYR QE . . 3.980 2.814 2.438 3.302 . 0 0 "[ . 1 . 2]" 1
2231 1 58 MET QG 1 84 VAL QG . . 5.440 4.700 4.010 4.879 . 0 0 "[ . 1 . 2]" 1
2232 1 58 MET ME 1 84 VAL QG . . 2.740 2.232 1.820 2.391 . 0 0 "[ . 1 . 2]" 1
2233 1 59 ASP HA 1 60 PRO QD . . 2.840 1.986 1.956 2.005 . 0 0 "[ . 1 . 2]" 1
2234 1 59 ASP QB 1 61 THR H . . 4.530 3.389 3.283 3.461 . 0 0 "[ . 1 . 2]" 1
2235 1 59 ASP QB 1 62 GLN HE21 . . 4.040 3.107 2.817 3.645 . 0 0 "[ . 1 . 2]" 1
2236 1 60 PRO HB2 1 90 SER QB . . 4.740 4.091 3.372 4.726 . 0 0 "[ . 1 . 2]" 1
2237 1 60 PRO QG 1 61 THR H . . 4.860 2.991 2.980 3.012 . 0 0 "[ . 1 . 2]" 1
2238 1 60 PRO QD 1 61 THR H . . 3.650 2.779 2.773 2.790 . 0 0 "[ . 1 . 2]" 1
2239 1 60 PRO QD 1 61 THR MG . . 4.410 3.859 3.611 4.143 . 0 0 "[ . 1 . 2]" 1
2240 1 61 THR H 1 62 GLN QG . . 4.610 3.890 3.739 4.038 . 0 0 "[ . 1 . 2]" 1
2241 1 62 GLN HA 1 62 GLN QG . . 3.220 2.564 2.524 2.671 . 0 0 "[ . 1 . 2]" 1
2242 1 62 GLN HA 1 63 HIS QB . . 4.410 4.254 4.198 4.297 . 0 0 "[ . 1 . 2]" 1
2243 1 62 GLN HA 1 66 ASN QB . . 5.340 4.493 3.973 4.905 . 0 0 "[ . 1 . 2]" 1
2244 1 62 GLN HB2 1 66 ASN QB . . 4.180 2.875 2.617 3.245 . 0 0 "[ . 1 . 2]" 1
2245 1 62 GLN HB3 1 66 ASN QB . . 3.680 2.629 1.932 3.153 . 0 0 "[ . 1 . 2]" 1
2246 1 62 GLN QG 1 66 ASN QB . . 4.540 3.965 3.271 4.401 . 0 0 "[ . 1 . 2]" 1
2247 1 62 GLN QG 1 67 TRP HA . . 5.340 5.120 4.171 5.388 0.048 8 0 "[ . 1 . 2]" 1
2248 1 62 GLN QG 1 67 TRP HD1 . . 4.440 4.161 3.480 4.425 . 0 0 "[ . 1 . 2]" 1
2249 1 62 GLN QG 1 67 TRP HE1 . . 5.150 4.222 3.922 4.341 . 0 0 "[ . 1 . 2]" 1
2250 1 63 HIS H 1 63 HIS QB . . 3.320 2.207 2.095 2.264 . 0 0 "[ . 1 . 2]" 1
2251 1 63 HIS HA 1 64 VAL QG . . 4.160 3.527 3.389 3.717 . 0 0 "[ . 1 . 2]" 1
2252 1 63 HIS QB 1 64 VAL H . . 3.890 3.041 1.940 3.455 . 0 0 "[ . 1 . 2]" 1
2253 1 63 HIS HE1 1 64 VAL QG . . 4.280 3.217 2.625 3.924 . 0 0 "[ . 1 . 2]" 1
2254 1 63 HIS HE1 1 65 ASN QD . . 4.310 3.596 2.605 4.310 0.000 11 0 "[ . 1 . 2]" 1
2255 1 64 VAL H 1 64 VAL QG . . 3.100 2.270 1.853 3.085 . 0 0 "[ . 1 . 2]" 1
2256 1 64 VAL HB 1 104 LEU QD . . 4.520 4.041 2.894 4.524 0.004 14 0 "[ . 1 . 2]" 1
2257 1 64 VAL QG 1 65 ASN HA . . 4.050 3.409 2.980 3.712 . 0 0 "[ . 1 . 2]" 1
2258 1 64 VAL QG 1 65 ASN QB . . 4.560 3.675 2.965 4.439 . 0 0 "[ . 1 . 2]" 1
2259 1 64 VAL QG 1 67 TRP H . . 4.930 4.200 3.869 4.382 . 0 0 "[ . 1 . 2]" 1
2260 1 64 VAL QG 1 67 TRP HB2 . . 4.880 3.753 2.845 4.379 . 0 0 "[ . 1 . 2]" 1
2261 1 64 VAL QG 1 67 TRP HE1 . . 4.160 4.018 3.694 4.182 0.022 11 0 "[ . 1 . 2]" 1
2262 1 64 VAL QG 1 67 TRP HZ2 . . 4.770 3.755 3.249 4.188 . 0 0 "[ . 1 . 2]" 1
2263 1 64 VAL QG 1 67 TRP HH2 . . 4.760 4.079 3.618 4.773 0.013 9 0 "[ . 1 . 2]" 1
2264 1 64 VAL QG 1 92 LYS HD2 . . 4.620 3.386 2.696 3.941 . 0 0 "[ . 1 . 2]" 1
2265 1 64 VAL QG 1 92 LYS HD3 . . 4.170 2.833 2.002 3.296 . 0 0 "[ . 1 . 2]" 1
2266 1 64 VAL QG 1 92 LYS QE . . 4.000 3.512 2.055 3.945 . 0 0 "[ . 1 . 2]" 1
2267 1 64 VAL QG 1 104 LEU HB2 . . 5.440 5.007 4.235 5.416 . 0 0 "[ . 1 . 2]" 1
2268 1 64 VAL QG 1 104 LEU HG . . 5.080 4.847 4.180 5.085 0.005 16 0 "[ . 1 . 2]" 1
2269 1 64 VAL QG 1 104 LEU QD . . 2.890 2.583 2.045 2.802 . 0 0 "[ . 1 . 2]" 1
2270 1 65 ASN HA 1 69 LYS QE . . 3.370 2.507 2.033 3.373 0.003 8 0 "[ . 1 . 2]" 1
2271 1 66 ASN H 1 66 ASN QD . . 4.670 4.245 3.224 4.669 . 0 0 "[ . 1 . 2]" 1
2272 1 66 ASN QB 1 67 TRP H . . 3.600 3.044 2.912 3.168 . 0 0 "[ . 1 . 2]" 1
2273 1 66 ASN QB 1 67 TRP HD1 . . 4.770 3.046 2.820 3.285 . 0 0 "[ . 1 . 2]" 1
2274 1 67 TRP H 1 69 LYS QE . . 5.260 4.751 3.518 5.266 0.006 18 0 "[ . 1 . 2]" 1
2275 1 67 TRP HZ3 1 90 SER QB . . 4.180 2.711 2.058 3.361 . 0 0 "[ . 1 . 2]" 1
2276 1 67 TRP HZ3 1 92 LYS QG . . 4.120 2.522 2.074 3.027 . 0 0 "[ . 1 . 2]" 1
2277 1 67 TRP HH2 1 90 SER QB . . 3.740 2.652 1.968 3.565 . 0 0 "[ . 1 . 2]" 1
2278 1 67 TRP HH2 1 92 LYS QG . . 4.640 3.655 2.989 4.367 . 0 0 "[ . 1 . 2]" 1
2279 1 69 LYS H 1 69 LYS QB . . 3.560 3.391 2.919 3.433 . 0 0 "[ . 1 . 2]" 1
2280 1 69 LYS QB 1 69 LYS QE . . 3.880 2.599 2.072 3.605 . 0 0 "[ . 1 . 2]" 1
2281 1 69 LYS QB 1 70 HIS H . . 3.620 2.584 2.446 2.975 . 0 0 "[ . 1 . 2]" 1
2282 1 69 LYS QE 1 69 LYS HG3 . . 3.580 3.094 2.293 3.314 . 0 0 "[ . 1 . 2]" 1
2283 1 70 HIS H 1 70 HIS QB . . 3.350 2.581 2.380 2.669 . 0 0 "[ . 1 . 2]" 1
2284 1 70 HIS HA 1 71 ASN QB . . 4.390 4.061 3.803 4.379 . 0 0 "[ . 1 . 2]" 1
2285 1 70 HIS QB 1 71 ASN H . . 4.380 2.462 2.346 2.560 . 0 0 "[ . 1 . 2]" 1
2286 1 70 HIS QB 1 80 ILE MD . . 3.750 3.168 2.934 3.637 . 0 0 "[ . 1 . 2]" 1
2287 1 70 HIS HD2 1 80 ILE QG . . 4.600 3.366 1.983 4.325 . 0 0 "[ . 1 . 2]" 1
2288 1 71 ASN H 1 71 ASN QB . . 3.250 2.664 2.383 3.260 0.010 12 0 "[ . 1 . 2]" 1
2289 1 71 ASN H 1 72 VAL QG . . 4.530 3.732 3.611 3.970 . 0 0 "[ . 1 . 2]" 1
2290 1 71 ASN HA 1 72 VAL QG . . 5.170 3.385 3.206 3.553 . 0 0 "[ . 1 . 2]" 1
2291 1 71 ASN QB 1 72 VAL H . . 3.930 3.069 2.680 3.829 . 0 0 "[ . 1 . 2]" 1
2292 1 72 VAL H 1 72 VAL QG . . 3.190 2.760 1.884 2.978 . 0 0 "[ . 1 . 2]" 1
2293 1 72 VAL HA 1 72 VAL QG . . 2.910 2.079 2.057 2.126 . 0 0 "[ . 1 . 2]" 1
2294 1 72 VAL QG 1 73 ALA H . . 3.210 2.157 1.910 3.190 . 0 0 "[ . 1 . 2]" 1
2295 1 72 VAL QG 1 73 ALA HA . . 4.740 3.673 3.520 4.085 . 0 0 "[ . 1 . 2]" 1
2296 1 72 VAL QG 1 74 ASP H . . 4.290 2.459 2.122 3.435 . 0 0 "[ . 1 . 2]" 1
2297 1 72 VAL QG 1 74 ASP HA . . 4.650 3.410 3.151 4.521 . 0 0 "[ . 1 . 2]" 1
2298 1 72 VAL QG 1 75 SER H . . 3.270 2.422 2.180 3.295 0.025 8 0 "[ . 1 . 2]" 1
2299 1 72 VAL QG 1 75 SER HA . . 4.810 4.494 4.302 4.882 0.072 8 0 "[ . 1 . 2]" 1
2300 1 72 VAL QG 1 75 SER QB . . 3.000 2.601 2.466 2.788 . 0 0 "[ . 1 . 2]" 1
2301 1 72 VAL QG 1 76 GLN H . . 3.510 2.858 2.675 3.423 . 0 0 "[ . 1 . 2]" 1
2302 1 72 VAL QG 1 77 ILE H . . 3.630 3.382 3.057 3.614 . 0 0 "[ . 1 . 2]" 1
2303 1 72 VAL QG 1 78 THR HB . . 3.620 2.722 2.202 3.149 . 0 0 "[ . 1 . 2]" 1
2304 1 73 ALA MB 1 75 SER QB . . 5.340 4.098 3.790 4.639 . 0 0 "[ . 1 . 2]" 1
2305 1 74 ASP H 1 74 ASP QB . . 3.150 2.882 2.857 2.963 . 0 0 "[ . 1 . 2]" 1
2306 1 74 ASP HA 1 75 SER QB . . 5.340 4.631 4.547 4.794 . 0 0 "[ . 1 . 2]" 1
2307 1 74 ASP QB 1 75 SER H . . 4.180 3.984 3.915 4.010 . 0 0 "[ . 1 . 2]" 1
2308 1 75 SER H 1 75 SER QB . . 3.160 2.375 2.257 2.473 . 0 0 "[ . 1 . 2]" 1
2309 1 75 SER QB 1 77 ILE H . . 3.330 2.364 2.190 2.562 . 0 0 "[ . 1 . 2]" 1
2310 1 75 SER QB 1 77 ILE MG . . 3.940 2.332 2.128 2.706 . 0 0 "[ . 1 . 2]" 1
2311 1 78 THR MG 1 80 ILE QG . . 3.540 2.843 2.688 3.034 . 0 0 "[ . 1 . 2]" 1
2312 1 80 ILE H 1 83 LEU QD . . 4.960 4.560 4.124 4.722 . 0 0 "[ . 1 . 2]" 1
2313 1 80 ILE HA 1 80 ILE QG . . 3.360 2.440 2.425 2.476 . 0 0 "[ . 1 . 2]" 1
2314 1 80 ILE HA 1 81 GLY QA . . 4.100 3.898 3.893 3.901 . 0 0 "[ . 1 . 2]" 1
2315 1 80 ILE HB 1 83 LEU QD . . 4.510 2.979 2.793 3.160 . 0 0 "[ . 1 . 2]" 1
2316 1 80 ILE QG 1 80 ILE MG . . 2.910 2.269 2.221 2.295 . 0 0 "[ . 1 . 2]" 1
2317 1 80 ILE MG 1 83 LEU QD . . 3.360 1.932 1.800 2.092 . 0 0 "[ . 1 . 2]" 1
2318 1 81 GLY QA 1 82 ASN H . . 2.770 2.257 2.233 2.268 . 0 0 "[ . 1 . 2]" 1
2319 1 81 GLY QA 1 82 ASN HA . . 4.170 4.117 4.115 4.118 . 0 0 "[ . 1 . 2]" 1
2320 1 81 GLY QA 1 83 LEU H . . 3.850 3.267 3.074 3.375 . 0 0 "[ . 1 . 2]" 1
2321 1 81 GLY QA 1 83 LEU QD . . 4.530 2.990 2.619 3.103 . 0 0 "[ . 1 . 2]" 1
2322 1 82 ASN QB 1 83 LEU H . . 4.190 3.843 3.754 3.893 . 0 0 "[ . 1 . 2]" 1
2323 1 83 LEU H 1 83 LEU QD . . 3.270 3.096 2.978 3.226 . 0 0 "[ . 1 . 2]" 1
2324 1 83 LEU HA 1 83 LEU QD . . 2.820 2.316 2.140 2.461 . 0 0 "[ . 1 . 2]" 1
2325 1 83 LEU HB3 1 83 LEU QD . . 2.740 2.104 2.030 2.163 . 0 0 "[ . 1 . 2]" 1
2326 1 83 LEU QD 1 84 VAL H . . 3.620 3.526 3.416 3.621 0.001 6 0 "[ . 1 . 2]" 1
2327 1 83 LEU QD 1 84 VAL QG . . 4.720 4.082 3.991 4.148 . 0 0 "[ . 1 . 2]" 1
2328 1 83 LEU QD 1 89 TYR QD . . 4.530 3.425 3.133 3.618 . 0 0 "[ . 1 . 2]" 1
2329 1 83 LEU QD 1 89 TYR QE . . 3.470 3.038 2.394 3.350 . 0 0 "[ . 1 . 2]" 1
2330 1 83 LEU QD 1 112 THR MG . . 3.320 2.576 2.449 2.753 . 0 0 "[ . 1 . 2]" 1
2331 1 84 VAL H 1 84 VAL QG . . 3.000 1.976 1.917 2.111 . 0 0 "[ . 1 . 2]" 1
2332 1 84 VAL QG 1 85 PRO HG2 . . 4.380 3.169 3.120 3.457 . 0 0 "[ . 1 . 2]" 1
2333 1 84 VAL QG 1 85 PRO HD2 . . 3.190 1.910 1.901 1.950 . 0 0 "[ . 1 . 2]" 1
2334 1 84 VAL QG 1 85 PRO HD3 . . 3.480 3.210 3.066 3.256 . 0 0 "[ . 1 . 2]" 1
2335 1 84 VAL QG 1 87 LYS HB2 . . 3.610 2.244 1.958 3.238 . 0 0 "[ . 1 . 2]" 1
2336 1 84 VAL QG 1 87 LYS HB3 . . 4.640 2.931 2.726 3.603 . 0 0 "[ . 1 . 2]" 1
2337 1 84 VAL QG 1 87 LYS HG2 . . 3.310 2.554 2.443 3.233 . 0 0 "[ . 1 . 2]" 1
2338 1 84 VAL QG 1 87 LYS HG3 . . 3.200 1.957 1.847 2.653 . 0 0 "[ . 1 . 2]" 1
2339 1 84 VAL QG 1 87 LYS HD3 . . 4.400 3.911 3.768 4.403 0.003 17 0 "[ . 1 . 2]" 1
2340 1 84 VAL QG 1 87 LYS HE2 . . 3.700 3.372 3.124 3.648 . 0 0 "[ . 1 . 2]" 1
2341 1 84 VAL QG 1 87 LYS HE3 . . 3.700 3.094 2.763 3.580 . 0 0 "[ . 1 . 2]" 1
2342 1 84 VAL QG 1 89 TYR QE . . 4.240 2.209 2.024 2.813 . 0 0 "[ . 1 . 2]" 1
2343 1 86 GLN H 1 86 GLN QG . . 3.140 2.723 2.485 3.015 . 0 0 "[ . 1 . 2]" 1
2344 1 86 GLN HA 1 86 GLN QG . . 3.010 2.441 2.184 2.574 . 0 0 "[ . 1 . 2]" 1
2345 1 86 GLN QB 1 87 LYS H . . 4.100 3.894 3.863 3.906 . 0 0 "[ . 1 . 2]" 1
2346 1 88 THR MG 1 109 GLN QB . . 3.380 2.486 2.109 2.634 . 0 0 "[ . 1 . 2]" 1
2347 1 88 THR MG 1 109 GLN QE . . 4.440 4.378 4.204 4.441 0.001 17 0 "[ . 1 . 2]" 1
2348 1 89 TYR H 1 110 VAL QG . . 3.970 3.580 3.144 3.789 . 0 0 "[ . 1 . 2]" 1
2349 1 89 TYR HA 1 90 SER QB . . 4.650 4.261 3.990 4.643 . 0 0 "[ . 1 . 2]" 1
2350 1 89 TYR HA 1 110 VAL QG . . 4.930 4.826 4.372 4.933 0.003 11 0 "[ . 1 . 2]" 1
2351 1 89 TYR HB2 1 110 VAL QG . . 3.390 3.129 2.649 3.390 . 0 0 "[ . 1 . 2]" 1
2352 1 89 TYR HB3 1 110 VAL QG . . 3.760 3.286 2.898 3.522 . 0 0 "[ . 1 . 2]" 1
2353 1 89 TYR QD 1 110 VAL QG . . 4.600 4.437 4.132 4.607 0.007 6 0 "[ . 1 . 2]" 1
2354 1 90 SER H 1 90 SER QB . . 3.280 2.407 2.137 2.942 . 0 0 "[ . 1 . 2]" 1
2355 1 90 SER H 1 110 VAL QG . . 5.440 5.092 4.680 5.244 . 0 0 "[ . 1 . 2]" 1
2356 1 90 SER QB 1 91 VAL H . . 3.600 2.884 2.573 3.387 . 0 0 "[ . 1 . 2]" 1
2357 1 90 SER QB 1 109 GLN QG . . 5.340 3.852 2.540 4.824 . 0 0 "[ . 1 . 2]" 1
2358 1 91 VAL H 1 110 VAL QG . . 5.090 4.846 4.405 5.091 0.001 4 0 "[ . 1 . 2]" 1
2359 1 91 VAL MG1 1 93 VAL QG . . 3.240 2.752 2.604 2.954 . 0 0 "[ . 1 . 2]" 1
2360 1 92 LYS H 1 92 LYS QG . . 3.970 2.974 2.802 3.391 . 0 0 "[ . 1 . 2]" 1
2361 1 92 LYS HA 1 93 VAL QG . . 4.330 3.335 3.172 3.565 . 0 0 "[ . 1 . 2]" 1
2362 1 92 LYS HA 1 104 LEU QD . . 4.470 4.205 3.545 4.473 0.003 16 0 "[ . 1 . 2]" 1
2363 1 92 LYS HB2 1 104 LEU QD . . 4.010 2.848 2.291 3.543 . 0 0 "[ . 1 . 2]" 1
2364 1 92 LYS HB3 1 104 LEU QD . . 3.240 2.333 2.012 2.804 . 0 0 "[ . 1 . 2]" 1
2365 1 92 LYS QE 1 92 LYS QG . . 3.320 2.160 1.983 2.393 . 0 0 "[ . 1 . 2]" 1
2366 1 92 LYS QG 1 107 ASP HA . . 3.570 2.425 2.089 2.687 . 0 0 "[ . 1 . 2]" 1
2367 1 92 LYS QG 1 107 ASP QB . . 4.370 3.397 2.695 3.865 . 0 0 "[ . 1 . 2]" 1
2368 1 92 LYS HD2 1 104 LEU QD . . 4.180 4.056 3.768 4.181 0.001 18 0 "[ . 1 . 2]" 1
2369 1 92 LYS HD2 1 107 ASP QB . . 5.340 3.729 2.781 4.398 . 0 0 "[ . 1 . 2]" 1
2370 1 92 LYS HD3 1 104 LEU QD . . 3.530 2.887 2.410 3.158 . 0 0 "[ . 1 . 2]" 1
2371 1 92 LYS QE 1 104 LEU QD . . 3.220 2.257 2.027 2.740 . 0 0 "[ . 1 . 2]" 1
2372 1 93 VAL H 1 93 VAL QG . . 3.340 2.698 2.429 2.905 . 0 0 "[ . 1 . 2]" 1
2373 1 93 VAL H 1 104 LEU QD . . 4.210 3.659 3.188 4.209 . 0 0 "[ . 1 . 2]" 1
2374 1 93 VAL H 1 105 SER QB . . 4.170 3.320 2.782 4.038 . 0 0 "[ . 1 . 2]" 1
2375 1 93 VAL HA 1 93 VAL QG . . 3.100 2.068 2.036 2.117 . 0 0 "[ . 1 . 2]" 1
2376 1 93 VAL HA 1 94 LEU QD . . 4.920 4.338 4.283 4.408 . 0 0 "[ . 1 . 2]" 1
2377 1 93 VAL HA 1 104 LEU QD . . 4.230 3.828 3.348 4.106 . 0 0 "[ . 1 . 2]" 1
2378 1 93 VAL QG 1 94 LEU H . . 3.200 1.937 1.907 2.199 . 0 0 "[ . 1 . 2]" 1
2379 1 93 VAL QG 1 94 LEU HA . . 4.390 3.554 3.296 3.611 . 0 0 "[ . 1 . 2]" 1
2380 1 93 VAL QG 1 105 SER H . . 5.440 4.703 4.379 4.885 . 0 0 "[ . 1 . 2]" 1
2381 1 93 VAL QG 1 105 SER HG . . 4.790 3.825 3.127 4.316 . 0 0 "[ . 1 . 2]" 1
2382 1 94 LEU H 1 94 LEU QD . . 3.970 3.404 3.340 3.451 . 0 0 "[ . 1 . 2]" 1
2383 1 94 LEU H 1 104 LEU QD . . 4.130 3.901 3.493 4.120 . 0 0 "[ . 1 . 2]" 1
2384 1 94 LEU HA 1 94 LEU QD . . 3.960 3.317 3.281 3.334 . 0 0 "[ . 1 . 2]" 1
2385 1 94 LEU HA 1 104 LEU QD . . 4.230 4.039 3.820 4.216 . 0 0 "[ . 1 . 2]" 1
2386 1 94 LEU QB 1 95 ALA H . . 3.870 2.448 2.425 2.658 . 0 0 "[ . 1 . 2]" 1
2387 1 94 LEU QB 1 104 LEU HA . . 3.470 2.162 1.981 2.366 . 0 0 "[ . 1 . 2]" 1
2388 1 94 LEU QB 1 104 LEU QD . . 2.950 2.029 1.951 2.171 . 0 0 "[ . 1 . 2]" 1
2389 1 94 LEU QB 1 105 SER H . . 4.370 3.735 3.450 3.962 . 0 0 "[ . 1 . 2]" 1
2390 1 94 LEU HG 1 104 LEU QD . . 4.590 3.728 3.547 3.956 . 0 0 "[ . 1 . 2]" 1
2391 1 94 LEU QD 1 95 ALA H . . 4.370 2.398 2.243 2.657 . 0 0 "[ . 1 . 2]" 1
2392 1 94 LEU QD 1 95 ALA HA . . 3.900 2.976 2.896 3.101 . 0 0 "[ . 1 . 2]" 1
2393 1 94 LEU QD 1 96 PHE H . . 4.170 3.381 3.249 3.530 . 0 0 "[ . 1 . 2]" 1
2394 1 94 LEU QD 1 96 PHE HA . . 4.580 3.596 3.495 3.686 . 0 0 "[ . 1 . 2]" 1
2395 1 94 LEU QD 1 96 PHE HB2 . . 4.300 3.705 3.573 3.796 . 0 0 "[ . 1 . 2]" 1
2396 1 94 LEU QD 1 96 PHE HB3 . . 4.210 2.345 2.243 2.413 . 0 0 "[ . 1 . 2]" 1
2397 1 94 LEU QD 1 96 PHE QD . . 3.530 2.561 2.373 2.724 . 0 0 "[ . 1 . 2]" 1
2398 1 94 LEU QD 1 96 PHE QE . . 4.900 4.325 4.129 4.475 . 0 0 "[ . 1 . 2]" 1
2399 1 94 LEU QD 1 101 ASP H . . 5.430 5.363 5.277 5.434 0.004 15 0 "[ . 1 . 2]" 1
2400 1 94 LEU QD 1 101 ASP HA . . 3.910 3.512 3.429 3.590 . 0 0 "[ . 1 . 2]" 1
2401 1 94 LEU QD 1 101 ASP HB2 . . 3.380 2.787 2.613 2.936 . 0 0 "[ . 1 . 2]" 1
2402 1 94 LEU QD 1 101 ASP HB3 . . 3.520 3.444 3.344 3.520 0.000 15 0 "[ . 1 . 2]" 1
2403 1 94 LEU QD 1 102 GLY H . . 3.460 2.257 2.164 2.345 . 0 0 "[ . 1 . 2]" 1
2404 1 94 LEU QD 1 104 LEU HA . . 4.160 3.395 3.038 3.619 . 0 0 "[ . 1 . 2]" 1
2405 1 94 LEU QD 1 104 LEU HB2 . . 5.440 4.551 4.121 4.978 . 0 0 "[ . 1 . 2]" 1
2406 1 94 LEU QD 1 104 LEU HB3 . . 5.440 4.209 4.077 4.532 . 0 0 "[ . 1 . 2]" 1
2407 1 94 LEU QD 1 104 LEU HG . . 3.400 2.410 1.973 3.139 . 0 0 "[ . 1 . 2]" 1
2408 1 94 LEU QD 1 104 LEU QD . . 2.880 1.918 1.810 2.045 . 0 0 "[ . 1 . 2]" 1
2409 1 94 LEU QD 1 105 SER H . . 5.440 4.835 4.554 5.022 . 0 0 "[ . 1 . 2]" 1
2410 1 99 ILE H 1 100 GLY QA . . 5.110 4.603 4.560 4.660 . 0 0 "[ . 1 . 2]" 1
2411 1 99 ILE MG 1 100 GLY QA . . 3.970 3.252 3.060 3.367 . 0 0 "[ . 1 . 2]" 1
2412 1 100 GLY QA 1 101 ASP HB3 . . 4.500 4.387 4.317 4.453 . 0 0 "[ . 1 . 2]" 1
2413 1 102 GLY H 1 103 PRO QD . . 4.630 4.327 4.289 4.356 . 0 0 "[ . 1 . 2]" 1
2414 1 104 LEU H 1 104 LEU QD . . 3.480 2.803 2.359 3.408 . 0 0 "[ . 1 . 2]" 1
2415 1 104 LEU HA 1 104 LEU QD . . 3.190 2.678 2.335 2.945 . 0 0 "[ . 1 . 2]" 1
2416 1 104 LEU QD 1 105 SER H . . 3.550 3.164 2.175 3.550 . 0 0 "[ . 1 . 2]" 1
2417 1 105 SER H 1 105 SER QB . . 3.420 2.472 2.222 2.937 . 0 0 "[ . 1 . 2]" 1
2418 1 105 SER QB 1 106 SER H . . 3.170 2.414 1.937 2.955 . 0 0 "[ . 1 . 2]" 1
2419 1 106 SER HA 1 107 ASP QB . . 5.340 4.479 4.079 4.674 . 0 0 "[ . 1 . 2]" 1
2420 1 107 ASP QB 1 108 ILE H . . 3.720 3.476 3.248 3.728 0.008 20 0 "[ . 1 . 2]" 1
2421 1 107 ASP QB 1 109 GLN QE . . 4.080 3.383 2.911 3.995 . 0 0 "[ . 1 . 2]" 1
2422 1 109 GLN H 1 109 GLN QB . . 3.360 2.643 2.511 2.768 . 0 0 "[ . 1 . 2]" 1
2423 1 109 GLN HA 1 110 VAL QG . . 4.190 3.532 3.342 3.667 . 0 0 "[ . 1 . 2]" 1
2424 1 109 GLN QB 1 110 VAL H . . 3.400 2.890 2.289 3.262 . 0 0 "[ . 1 . 2]" 1
2425 1 110 VAL H 1 110 VAL QG . . 3.080 2.154 1.960 2.511 . 0 0 "[ . 1 . 2]" 1
2426 1 110 VAL HA 1 110 VAL QG . . 2.850 2.254 2.200 2.334 . 0 0 "[ . 1 . 2]" 1
2427 1 110 VAL QG 1 111 ILE H . . 2.920 2.406 2.215 2.518 . 0 0 "[ . 1 . 2]" 1
2428 1 110 VAL QG 1 112 THR HA . . 4.660 3.770 3.675 3.914 . 0 0 "[ . 1 . 2]" 1
2429 1 111 ILE MG 1 113 GLN QE . . 4.540 3.783 2.010 4.540 . 0 0 "[ . 1 . 2]" 1
2430 1 88 THR HA 1 110 VAL H . . 4.000 4.700 4.227 4.930 0.930 10 15 "[******-**+*** . ** 2]" 1
2431 1 40 LYS HA 1 76 GLN QB . . 4.000 3.886 3.841 4.153 0.153 14 0 "[ . 1 . 2]" 1
2432 1 23 ARG H 1 41 GLU H . . 4.000 5.338 5.040 5.651 1.651 15 20 [*******-******+*****] 1
2433 1 44 GLU HA 1 46 ASN H . . 3.600 3.915 3.869 3.951 0.351 19 0 "[ . 1 . 2]" 1
2434 1 70 HIS H 1 71 ASN H . . 3.500 4.382 4.367 4.432 0.932 12 20 [**-********+********] 1
2435 1 63 HIS H 1 64 VAL H . . 3.300 4.272 3.256 4.622 1.322 8 15 "[****-**+ 1 * **** **]" 1
2436 1 63 HIS ND1 1 65 ASN H . . 3.000 2.708 2.450 3.119 0.119 13 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 1
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 45 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 45 PRO CG 1 45 PRO N . . 2.330 2.306 2.305 2.308 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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